Commit 13a399b7 authored by Mukherjee, Debangshu's avatar Mukherjee, Debangshu
Browse files

Changes Ongoing

parent 3e39d845

Co.cif

0 → 100644
+218 −0
Original line number Diff line number Diff line 
# generated using pymatgen

data_Co

_symmetry_space_group_name_H-M   Fm-3m

_cell_length_a   3.51331447

_cell_length_b   3.51331447

_cell_length_c   3.51331447

_cell_angle_alpha   90.00000000

_cell_angle_beta   90.00000000

_cell_angle_gamma   90.00000000

_symmetry_Int_Tables_number   225

_chemical_formula_structural   Co

_chemical_formula_sum   Co4

_cell_volume   43.36617053

_cell_formula_units_Z   4

loop_

 _symmetry_equiv_pos_site_id

 _symmetry_equiv_pos_as_xyz

  1  'x, y, z'

  2  '-x, -y, -z'

  3  '-y, x, z'

  4  'y, -x, -z'

  5  '-x, -y, z'

  6  'x, y, -z'

  7  'y, -x, z'

  8  '-y, x, -z'

  9  'x, -y, -z'

  10  '-x, y, z'

  11  '-y, -x, -z'

  12  'y, x, z'

  13  '-x, y, -z'

  14  'x, -y, z'

  15  'y, x, -z'

  16  '-y, -x, z'

  17  'z, x, y'

  18  '-z, -x, -y'

  19  'z, -y, x'

  20  '-z, y, -x'

  21  'z, -x, -y'

  22  '-z, x, y'

  23  'z, y, -x'

  24  '-z, -y, x'

  25  '-z, x, -y'

  26  'z, -x, y'

  27  '-z, -y, -x'

  28  'z, y, x'

  29  '-z, -x, y'

  30  'z, x, -y'

  31  '-z, y, x'

  32  'z, -y, -x'

  33  'y, z, x'

  34  '-y, -z, -x'

  35  'x, z, -y'

  36  '-x, -z, y'

  37  '-y, z, -x'

  38  'y, -z, x'

  39  '-x, z, y'

  40  'x, -z, -y'

  41  '-y, -z, x'

  42  'y, z, -x'

  43  '-x, -z, -y'

  44  'x, z, y'

  45  'y, -z, -x'

  46  '-y, z, x'

  47  'x, -z, y'

  48  '-x, z, -y'

  49  'x+1/2, y+1/2, z'

  50  '-x+1/2, -y+1/2, -z'

  51  '-y+1/2, x+1/2, z'

  52  'y+1/2, -x+1/2, -z'

  53  '-x+1/2, -y+1/2, z'

  54  'x+1/2, y+1/2, -z'

  55  'y+1/2, -x+1/2, z'

  56  '-y+1/2, x+1/2, -z'

  57  'x+1/2, -y+1/2, -z'

  58  '-x+1/2, y+1/2, z'

  59  '-y+1/2, -x+1/2, -z'

  60  'y+1/2, x+1/2, z'

  61  '-x+1/2, y+1/2, -z'

  62  'x+1/2, -y+1/2, z'

  63  'y+1/2, x+1/2, -z'

  64  '-y+1/2, -x+1/2, z'

  65  'z+1/2, x+1/2, y'

  66  '-z+1/2, -x+1/2, -y'

  67  'z+1/2, -y+1/2, x'

  68  '-z+1/2, y+1/2, -x'

  69  'z+1/2, -x+1/2, -y'

  70  '-z+1/2, x+1/2, y'

  71  'z+1/2, y+1/2, -x'

  72  '-z+1/2, -y+1/2, x'

  73  '-z+1/2, x+1/2, -y'

  74  'z+1/2, -x+1/2, y'

  75  '-z+1/2, -y+1/2, -x'

  76  'z+1/2, y+1/2, x'

  77  '-z+1/2, -x+1/2, y'

  78  'z+1/2, x+1/2, -y'

  79  '-z+1/2, y+1/2, x'

  80  'z+1/2, -y+1/2, -x'

  81  'y+1/2, z+1/2, x'

  82  '-y+1/2, -z+1/2, -x'

  83  'x+1/2, z+1/2, -y'

  84  '-x+1/2, -z+1/2, y'

  85  '-y+1/2, z+1/2, -x'

  86  'y+1/2, -z+1/2, x'

  87  '-x+1/2, z+1/2, y'

  88  'x+1/2, -z+1/2, -y'

  89  '-y+1/2, -z+1/2, x'

  90  'y+1/2, z+1/2, -x'

  91  '-x+1/2, -z+1/2, -y'

  92  'x+1/2, z+1/2, y'

  93  'y+1/2, -z+1/2, -x'

  94  '-y+1/2, z+1/2, x'

  95  'x+1/2, -z+1/2, y'

  96  '-x+1/2, z+1/2, -y'

  97  'x+1/2, y, z+1/2'

  98  '-x+1/2, -y, -z+1/2'

  99  '-y+1/2, x, z+1/2'

  100  'y+1/2, -x, -z+1/2'

  101  '-x+1/2, -y, z+1/2'

  102  'x+1/2, y, -z+1/2'

  103  'y+1/2, -x, z+1/2'

  104  '-y+1/2, x, -z+1/2'

  105  'x+1/2, -y, -z+1/2'

  106  '-x+1/2, y, z+1/2'

  107  '-y+1/2, -x, -z+1/2'

  108  'y+1/2, x, z+1/2'

  109  '-x+1/2, y, -z+1/2'

  110  'x+1/2, -y, z+1/2'

  111  'y+1/2, x, -z+1/2'

  112  '-y+1/2, -x, z+1/2'

  113  'z+1/2, x, y+1/2'

  114  '-z+1/2, -x, -y+1/2'

  115  'z+1/2, -y, x+1/2'

  116  '-z+1/2, y, -x+1/2'

  117  'z+1/2, -x, -y+1/2'

  118  '-z+1/2, x, y+1/2'

  119  'z+1/2, y, -x+1/2'

  120  '-z+1/2, -y, x+1/2'

  121  '-z+1/2, x, -y+1/2'

  122  'z+1/2, -x, y+1/2'

  123  '-z+1/2, -y, -x+1/2'

  124  'z+1/2, y, x+1/2'

  125  '-z+1/2, -x, y+1/2'

  126  'z+1/2, x, -y+1/2'

  127  '-z+1/2, y, x+1/2'

  128  'z+1/2, -y, -x+1/2'

  129  'y+1/2, z, x+1/2'

  130  '-y+1/2, -z, -x+1/2'

  131  'x+1/2, z, -y+1/2'

  132  '-x+1/2, -z, y+1/2'

  133  '-y+1/2, z, -x+1/2'

  134  'y+1/2, -z, x+1/2'

  135  '-x+1/2, z, y+1/2'

  136  'x+1/2, -z, -y+1/2'

  137  '-y+1/2, -z, x+1/2'

  138  'y+1/2, z, -x+1/2'

  139  '-x+1/2, -z, -y+1/2'

  140  'x+1/2, z, y+1/2'

  141  'y+1/2, -z, -x+1/2'

  142  '-y+1/2, z, x+1/2'

  143  'x+1/2, -z, y+1/2'

  144  '-x+1/2, z, -y+1/2'

  145  'x, y+1/2, z+1/2'

  146  '-x, -y+1/2, -z+1/2'

  147  '-y, x+1/2, z+1/2'

  148  'y, -x+1/2, -z+1/2'

  149  '-x, -y+1/2, z+1/2'

  150  'x, y+1/2, -z+1/2'

  151  'y, -x+1/2, z+1/2'

  152  '-y, x+1/2, -z+1/2'

  153  'x, -y+1/2, -z+1/2'

  154  '-x, y+1/2, z+1/2'

  155  '-y, -x+1/2, -z+1/2'

  156  'y, x+1/2, z+1/2'

  157  '-x, y+1/2, -z+1/2'

  158  'x, -y+1/2, z+1/2'

  159  'y, x+1/2, -z+1/2'

  160  '-y, -x+1/2, z+1/2'

  161  'z, x+1/2, y+1/2'

  162  '-z, -x+1/2, -y+1/2'

  163  'z, -y+1/2, x+1/2'

  164  '-z, y+1/2, -x+1/2'

  165  'z, -x+1/2, -y+1/2'

  166  '-z, x+1/2, y+1/2'

  167  'z, y+1/2, -x+1/2'

  168  '-z, -y+1/2, x+1/2'

  169  '-z, x+1/2, -y+1/2'

  170  'z, -x+1/2, y+1/2'

  171  '-z, -y+1/2, -x+1/2'

  172  'z, y+1/2, x+1/2'

  173  '-z, -x+1/2, y+1/2'

  174  'z, x+1/2, -y+1/2'

  175  '-z, y+1/2, x+1/2'

  176  'z, -y+1/2, -x+1/2'

  177  'y, z+1/2, x+1/2'

  178  '-y, -z+1/2, -x+1/2'

  179  'x, z+1/2, -y+1/2'

  180  '-x, -z+1/2, y+1/2'

  181  '-y, z+1/2, -x+1/2'

  182  'y, -z+1/2, x+1/2'

  183  '-x, z+1/2, y+1/2'

  184  'x, -z+1/2, -y+1/2'

  185  '-y, -z+1/2, x+1/2'

  186  'y, z+1/2, -x+1/2'

  187  '-x, -z+1/2, -y+1/2'

  188  'x, z+1/2, y+1/2'

  189  'y, -z+1/2, -x+1/2'

  190  '-y, z+1/2, x+1/2'

  191  'x, -z+1/2, y+1/2'

  192  '-x, z+1/2, -y+1/2'

loop_

 _atom_site_type_symbol

 _atom_site_label

 _atom_site_symmetry_multiplicity

 _atom_site_fract_x

 _atom_site_fract_y

 _atom_site_fract_z

 _atom_site_occupancy

  Co  Co0  4  0.00000000  0.00000000  0.00000000  1

Combined_4DSTEM.bib

+46 −11
Original line number Diff line number Diff line
@@ -106,7 +106,7 @@ 


@article{strain_tensor,

  title={Imaging Short-range Order and Extracting {3--D} Strain Tensor Using Energy-filtered {4D--STEM} Techniques},

  author={Zhang, Ruopeng and Zeltmann, Steven and Ophus, Colin and Savitzky, Benjamin and Pekin, Thomas and Rothchild, Eric and Bustillo, Karen and Asta, Mark and Chrzan, Daryl and Minor, Andrew},

  author={Zhang, Ruopeng and Zeltmann, Steven and Ophus, Colin and Savitzky, Benjamin and Pekin, Thomas C and Rothchild, Eric and Bustillo, Karen and Asta, Mark and Chrzan, Daryl and Minor, Andrew},

  journal={Microscopy and Microanalysis},

  volume={26},

  number={S2},
@@ -272,7 +272,7 @@ 


@article{colin_drift,

  title={Correcting nonlinear drift distortion of scanning probe and scanning transmission electron microscopies from image pairs with orthogonal scan directions},

  author={Ophus, Colin and Ciston, Jim and Nelson, Chris T},

  author={Ophus, Colin and Ciston, Jim and Nelson, Christopher Tobias},

  journal={Ultramicroscopy},

  volume={162},

  pages={1--9},
@@ -471,7 +471,7 @@ 
}



@article{4dstem_precession,

  title={{High Precision Orientation Mapping from 4D-STEM Precession Electron Diffraction data through Quantitative Analysis of Diffracted Intensities}},

  title={{High Precision Orientation Mapping from {4D--STEM} Precession Electron Diffraction data through Quantitative Analysis of Diffracted Intensities}},

  author={Corr{\^e}a, Leonardo and Ortega, Eduardo and Ponce, Arturo and Cotta, M{\^o}nica and Ugarte, Daniel},

  journal={arXiv preprint arXiv:2301.10286},

  year={2023},
@@ -479,7 +479,7 @@ 
}



@article{4dstem_graphene,

  title={{4D} scanning transmission electron microscopy {(4D-STEM)} reveals crystallization mechanisms of organic semiconductors on graphene},

  title={{4D} scanning transmission electron microscopy {(4D--STEM)} reveals crystallization mechanisms of organic semiconductors on graphene},

  author={Guo, Zixuan and Ophus, Colin and Bustillo, Karen C and Fair, Ryan and Mannsfeld, Stefan C B and Briseno, Alejandro L and Gomez, Enrique D},

  journal={MRS Communications},

  pages={1--8},
@@ -489,7 +489,7 @@ 
}



@article{4dstem_point_defects,

  title={Nanoscale mapping of point defect concentrations with {4D-STEM}},

  title={Nanoscale mapping of point defect concentrations with {4D--STEM}},

  author={Mills, Sean H and Zeltmann, Steven E and Ercius, Peter and Kohnert, Aaron A and Uberuaga, Blas P and Minor, Andrew M},

  journal={Acta Materialia},

  pages={118721},
@@ -499,8 +499,8 @@ 
  url={https://doi.org/10.1016/j.actamat.2023.118721},

}



@article{allen2021fast,

  title={Fast grain mapping with sub-nanometer resolution using {4D-STEM} with grain classification by principal component analysis and non-negative matrix factorization},

@article{4dstem_grain_mapping,

  title={Fast grain mapping with sub-nanometer resolution using {4D--STEM} with grain classification by principal component analysis and non-negative matrix factorization},

  author={Allen, Frances I and Pekin, Thomas C and Persaud, Arun and Rozeveld, Steven J and Meyers, Gregory F and Ciston, Jim and Ophus, Colin and Minor, Andrew M},

  journal={Microscopy and microanalysis},

  volume={27},
@@ -513,7 +513,7 @@ 


@article{structure_determination,

  title={Structure determination of superatom metallic clusters using rapid scanning electron diffraction},

  author={Bruma, Alina and Santiago, Ulises and Alducin, Diego and Plascencia Villa, German and Whetten, Robert L and Ponce, Arturo and Mariscal, Marcelo and José-Yacamán, Miguel},

  author={Bruma, Alina and Santiago, Ulises and Alducin, Diego and Plascencia Villa, German and Whetten, Robert L and Ponce, Arturo and Mariscal, Marcelo and Yacam{\'a}n, Miguel Jos{\'e}},

  journal={The Journal of Physical Chemistry C},

  volume={120},

  number={3},
@@ -523,8 +523,8 @@ 
  url={https://doi.org/10.1021/acs.jpcc.5b09524},

}



@article{pyxel_4dstem,

  title={Free, flexible and fast: Orientation mapping using the multi-core and {GPU}-accelerated template matching capabilities in the Python-based open source {4D-STEM} analysis toolbox {Pyxem}},

@article{pyxem_4dstem,

  title={Free, flexible and fast: Orientation mapping using the multi-core and {GPU}-accelerated template matching capabilities in the Python-based open source {4D--STEM} analysis toolbox {Pyxem}},

  author={Cautaerts, Niels and Crout, Phillip and {\AA}nes, H{\aa}kon W and Prestat, Eric and Jeong, Jiwon and Dehm, Gerhard and Liebscher, Christian H},

  journal={Ultramicroscopy},

  volume={237},
@@ -583,7 +583,7 @@ 
}



@article{4dstem_amorphous,

  title={Nanoscale characterization of crystalline and amorphous phases in silicon oxycarbide ceramics using {4D-STEM}},

  title={Nanoscale characterization of crystalline and amorphous phases in silicon oxycarbide ceramics using {4D--STEM}},

  author={Yang, Ni and Ophus, Colin and Savitzky, Benjamin H and Scott, Mary C and Bustillo, Karen and Lu, Kathy},

  journal={Materials Characterization},

  volume={181},
@@ -603,3 +603,38 @@ 
  publisher={Elsevier},

  url={https://doi.org/10.1016/j.ultramic.2021.113256},

}



@article{diffpy,

  title={Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems},

  author={Juh{\'a}s, Pavol and Farrow, Christopher L and Yang, Xiaohao and Knox, Kevin R and Billinge, Simon J L},

  journal={Acta Crystallographica Section A},

  volume={71},

  number={6},

  pages={562--568},

  year={2015},

  publisher={Wiley Online Library},

  url={https://doi.org/10.1107/S2053273315014473},

}



@software{diffsims,

  author={Johnstone, Duncan and Phillip Crout and Ånes, Håkon Wiik and Prestat, Eric and Tovey, Rob and Høgås, Simon and Martineau, Ben and Laulainen, Joonatan and Cautaerts, Niels and Wood, Isabel and Collins, Sean and Smeets, Stef and Borrelli, Alex and Tiarnan Doherty and Morzy, Jedrzej and Jacobsen, Endre and Bergh, Tina and Ostasevicius, Tomas and Opheim, Eirik},

  title={pyxem/diffsims: diffsims 0.5.1},

  month=Jan,

  year=2023,

  publisher={Zenodo},

  version={v0.5.1},

  doi={10.5281/zenodo.7574049},

  url={https://doi.org/10.5281/zenodo.7574049}

}



@article{materials_project,

  title={{Commentary: The Materials Project: A materials genome approach to accelerating materials innovation}},

  author={Jain, Anubhav and Ong, Shyue Ping and Hautier, Geoffroy and Chen, Wei and Richards, William Davidson and Dacek, Stephen and Cholia, Shreyas and Gunter, Dan and Skinner, David and Ceder, Gerbrand and Persson, Kristin A},

  journal={APL materials},

  volume={1},

  number={1},

  pages={011002},

  year={2013},

  publisher={American Institute of Physics (AIP)},

  url={https://doi.org/10.1063/1.4812323},

}
 
 No newline at end of file

Combined_4DSTEM.pdf

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Combined_4DSTEM.tex

+23 −109

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Pt.cif

0 → 100644
+218 −0
Original line number Diff line number Diff line 
# generated using pymatgen

data_Pt

_symmetry_space_group_name_H-M   Fm-3m

_cell_length_a   3.94315036

_cell_length_b   3.94315036

_cell_length_c   3.94315036

_cell_angle_alpha   90.00000000

_cell_angle_beta   90.00000000

_cell_angle_gamma   90.00000000

_symmetry_Int_Tables_number   225

_chemical_formula_structural   Pt

_chemical_formula_sum   Pt4

_cell_volume   61.30981622

_cell_formula_units_Z   4

loop_

 _symmetry_equiv_pos_site_id

 _symmetry_equiv_pos_as_xyz

  1  'x, y, z'

  2  '-x, -y, -z'

  3  '-y, x, z'

  4  'y, -x, -z'

  5  '-x, -y, z'

  6  'x, y, -z'

  7  'y, -x, z'

  8  '-y, x, -z'

  9  'x, -y, -z'

  10  '-x, y, z'

  11  '-y, -x, -z'

  12  'y, x, z'

  13  '-x, y, -z'

  14  'x, -y, z'

  15  'y, x, -z'

  16  '-y, -x, z'

  17  'z, x, y'

  18  '-z, -x, -y'

  19  'z, -y, x'

  20  '-z, y, -x'

  21  'z, -x, -y'

  22  '-z, x, y'

  23  'z, y, -x'

  24  '-z, -y, x'

  25  '-z, x, -y'

  26  'z, -x, y'

  27  '-z, -y, -x'

  28  'z, y, x'

  29  '-z, -x, y'

  30  'z, x, -y'

  31  '-z, y, x'

  32  'z, -y, -x'

  33  'y, z, x'

  34  '-y, -z, -x'

  35  'x, z, -y'

  36  '-x, -z, y'

  37  '-y, z, -x'

  38  'y, -z, x'

  39  '-x, z, y'

  40  'x, -z, -y'

  41  '-y, -z, x'

  42  'y, z, -x'

  43  '-x, -z, -y'

  44  'x, z, y'

  45  'y, -z, -x'

  46  '-y, z, x'

  47  'x, -z, y'

  48  '-x, z, -y'

  49  'x+1/2, y+1/2, z'

  50  '-x+1/2, -y+1/2, -z'

  51  '-y+1/2, x+1/2, z'

  52  'y+1/2, -x+1/2, -z'

  53  '-x+1/2, -y+1/2, z'

  54  'x+1/2, y+1/2, -z'

  55  'y+1/2, -x+1/2, z'

  56  '-y+1/2, x+1/2, -z'

  57  'x+1/2, -y+1/2, -z'

  58  '-x+1/2, y+1/2, z'

  59  '-y+1/2, -x+1/2, -z'

  60  'y+1/2, x+1/2, z'

  61  '-x+1/2, y+1/2, -z'

  62  'x+1/2, -y+1/2, z'

  63  'y+1/2, x+1/2, -z'

  64  '-y+1/2, -x+1/2, z'

  65  'z+1/2, x+1/2, y'

  66  '-z+1/2, -x+1/2, -y'

  67  'z+1/2, -y+1/2, x'

  68  '-z+1/2, y+1/2, -x'

  69  'z+1/2, -x+1/2, -y'

  70  '-z+1/2, x+1/2, y'

  71  'z+1/2, y+1/2, -x'

  72  '-z+1/2, -y+1/2, x'

  73  '-z+1/2, x+1/2, -y'

  74  'z+1/2, -x+1/2, y'

  75  '-z+1/2, -y+1/2, -x'

  76  'z+1/2, y+1/2, x'

  77  '-z+1/2, -x+1/2, y'

  78  'z+1/2, x+1/2, -y'

  79  '-z+1/2, y+1/2, x'

  80  'z+1/2, -y+1/2, -x'

  81  'y+1/2, z+1/2, x'

  82  '-y+1/2, -z+1/2, -x'

  83  'x+1/2, z+1/2, -y'

  84  '-x+1/2, -z+1/2, y'

  85  '-y+1/2, z+1/2, -x'

  86  'y+1/2, -z+1/2, x'

  87  '-x+1/2, z+1/2, y'

  88  'x+1/2, -z+1/2, -y'

  89  '-y+1/2, -z+1/2, x'

  90  'y+1/2, z+1/2, -x'

  91  '-x+1/2, -z+1/2, -y'

  92  'x+1/2, z+1/2, y'

  93  'y+1/2, -z+1/2, -x'

  94  '-y+1/2, z+1/2, x'

  95  'x+1/2, -z+1/2, y'

  96  '-x+1/2, z+1/2, -y'

  97  'x+1/2, y, z+1/2'

  98  '-x+1/2, -y, -z+1/2'

  99  '-y+1/2, x, z+1/2'

  100  'y+1/2, -x, -z+1/2'

  101  '-x+1/2, -y, z+1/2'

  102  'x+1/2, y, -z+1/2'

  103  'y+1/2, -x, z+1/2'

  104  '-y+1/2, x, -z+1/2'

  105  'x+1/2, -y, -z+1/2'

  106  '-x+1/2, y, z+1/2'

  107  '-y+1/2, -x, -z+1/2'

  108  'y+1/2, x, z+1/2'

  109  '-x+1/2, y, -z+1/2'

  110  'x+1/2, -y, z+1/2'

  111  'y+1/2, x, -z+1/2'

  112  '-y+1/2, -x, z+1/2'

  113  'z+1/2, x, y+1/2'

  114  '-z+1/2, -x, -y+1/2'

  115  'z+1/2, -y, x+1/2'

  116  '-z+1/2, y, -x+1/2'

  117  'z+1/2, -x, -y+1/2'

  118  '-z+1/2, x, y+1/2'

  119  'z+1/2, y, -x+1/2'

  120  '-z+1/2, -y, x+1/2'

  121  '-z+1/2, x, -y+1/2'

  122  'z+1/2, -x, y+1/2'

  123  '-z+1/2, -y, -x+1/2'

  124  'z+1/2, y, x+1/2'

  125  '-z+1/2, -x, y+1/2'

  126  'z+1/2, x, -y+1/2'

  127  '-z+1/2, y, x+1/2'

  128  'z+1/2, -y, -x+1/2'

  129  'y+1/2, z, x+1/2'

  130  '-y+1/2, -z, -x+1/2'

  131  'x+1/2, z, -y+1/2'

  132  '-x+1/2, -z, y+1/2'

  133  '-y+1/2, z, -x+1/2'

  134  'y+1/2, -z, x+1/2'

  135  '-x+1/2, z, y+1/2'

  136  'x+1/2, -z, -y+1/2'

  137  '-y+1/2, -z, x+1/2'

  138  'y+1/2, z, -x+1/2'

  139  '-x+1/2, -z, -y+1/2'

  140  'x+1/2, z, y+1/2'

  141  'y+1/2, -z, -x+1/2'

  142  '-y+1/2, z, x+1/2'

  143  'x+1/2, -z, y+1/2'

  144  '-x+1/2, z, -y+1/2'

  145  'x, y+1/2, z+1/2'

  146  '-x, -y+1/2, -z+1/2'

  147  '-y, x+1/2, z+1/2'

  148  'y, -x+1/2, -z+1/2'

  149  '-x, -y+1/2, z+1/2'

  150  'x, y+1/2, -z+1/2'

  151  'y, -x+1/2, z+1/2'

  152  '-y, x+1/2, -z+1/2'

  153  'x, -y+1/2, -z+1/2'

  154  '-x, y+1/2, z+1/2'

  155  '-y, -x+1/2, -z+1/2'

  156  'y, x+1/2, z+1/2'

  157  '-x, y+1/2, -z+1/2'

  158  'x, -y+1/2, z+1/2'

  159  'y, x+1/2, -z+1/2'

  160  '-y, -x+1/2, z+1/2'

  161  'z, x+1/2, y+1/2'

  162  '-z, -x+1/2, -y+1/2'

  163  'z, -y+1/2, x+1/2'

  164  '-z, y+1/2, -x+1/2'

  165  'z, -x+1/2, -y+1/2'

  166  '-z, x+1/2, y+1/2'

  167  'z, y+1/2, -x+1/2'

  168  '-z, -y+1/2, x+1/2'

  169  '-z, x+1/2, -y+1/2'

  170  'z, -x+1/2, y+1/2'

  171  '-z, -y+1/2, -x+1/2'

  172  'z, y+1/2, x+1/2'

  173  '-z, -x+1/2, y+1/2'

  174  'z, x+1/2, -y+1/2'

  175  '-z, y+1/2, x+1/2'

  176  'z, -y+1/2, -x+1/2'

  177  'y, z+1/2, x+1/2'

  178  '-y, -z+1/2, -x+1/2'

  179  'x, z+1/2, -y+1/2'

  180  '-x, -z+1/2, y+1/2'

  181  '-y, z+1/2, -x+1/2'

  182  'y, -z+1/2, x+1/2'

  183  '-x, z+1/2, y+1/2'

  184  'x, -z+1/2, -y+1/2'

  185  '-y, -z+1/2, x+1/2'

  186  'y, z+1/2, -x+1/2'

  187  '-x, -z+1/2, -y+1/2'

  188  'x, z+1/2, y+1/2'

  189  'y, -z+1/2, -x+1/2'

  190  '-y, z+1/2, x+1/2'

  191  'x, -z+1/2, y+1/2'

  192  '-x, z+1/2, -y+1/2'

loop_

 _atom_site_type_symbol

 _atom_site_label

 _atom_site_symmetry_multiplicity

 _atom_site_fract_x

 _atom_site_fract_y

 _atom_site_fract_z

 _atom_site_occupancy

  Pt  Pt0  4  0.00000000  0.00000000  0.00000000  1