# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.18011914
_cell_length_b   13.48232887
_cell_length_c   48.56839205
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.46925953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe96 P192'
_cell_volume   11740.2948401
_cell_formula_units_Z   96
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
  Fe  Fe1  1  0.416685  0.958324  0.301091  1
  Fe  Fe2  1  0.742071  0.007875  0.283996  1
  Fe  Fe3  1  0.063503  0.932498  0.319427  1
  Fe  Fe4  1  0.416685  0.458324  0.301091  1
  Fe  Fe5  1  0.742071  0.507875  0.283996  1
  Fe  Fe6  1  0.063503  0.432498  0.319427  1
  Fe  Fe7  1  0.552842  0.176217  0.316367  1
  Fe  Fe8  1  0.903098  0.217542  0.302131  1
  Fe  Fe9  1  0.254065  0.247502  0.284550  1
  Fe  Fe10  1  0.552842  0.676217  0.316367  1
  Fe  Fe11  1  0.903098  0.717542  0.302131  1
  Fe  Fe12  1  0.254065  0.747502  0.284550  1
  Fe  Fe13  1  0.360502  0.867659  0.347765  1
  Fe  Fe14  1  0.703322  0.904101  0.332230  1
  Fe  Fe15  1  0.009920  0.837733  0.365850  1
  Fe  Fe16  1  0.360502  0.367659  0.347765  1
  Fe  Fe17  1  0.703322  0.404101  0.332230  1
  Fe  Fe18  1  0.009920  0.337733  0.365850  1
  Fe  Fe19  1  0.508174  0.083956  0.370430  1
  Fe  Fe20  1  0.859875  0.120480  0.350977  1
  Fe  Fe21  1  0.208370  0.149734  0.332216  1
  Fe  Fe22  1  0.508174  0.583956  0.370430  1
  Fe  Fe23  1  0.859875  0.620480  0.350977  1
  Fe  Fe24  1  0.208370  0.649734  0.332216  1
  Fe  Fe25  1  0.303829  0.760066  0.408488  1
  Fe  Fe26  1  0.659482  0.804808  0.383927  1
  Fe  Fe27  1  0.955558  0.723516  0.426985  1
  Fe  Fe28  1  0.303829  0.260066  0.408488  1
  Fe  Fe29  1  0.659482  0.304808  0.383927  1
  Fe  Fe30  1  0.955558  0.223516  0.426985  1
  Fe  Fe31  1  0.459281  0.983666  0.421968  1
  Fe  Fe32  1  0.810739  0.020714  0.402256  1
  Fe  Fe33  1  0.162259  0.055077  0.384035  1
  Fe  Fe34  1  0.459281  0.483666  0.421968  1
  Fe  Fe35  1  0.810739  0.520714  0.402256  1
  Fe  Fe36  1  0.162259  0.555077  0.384035  1
  Fe  Fe37  1  0.261315  0.663431  0.459483  1
  Fe  Fe38  1  0.604487  0.688031  0.446519  1
  Fe  Fe39  1  0.910367  0.630668  0.477786  1
  Fe  Fe40  1  0.261315  0.163431  0.459483  1
  Fe  Fe41  1  0.604487  0.188031  0.446519  1
  Fe  Fe42  1  0.910367  0.130668  0.477786  1
  Fe  Fe43  1  0.405284  0.870710  0.483600  1
  Fe  Fe44  1  0.755009  0.903619  0.464641  1
  Fe  Fe45  1  0.105241  0.938774  0.446384  1
  Fe  Fe46  1  0.405284  0.370710  0.483600  1
  Fe  Fe47  1  0.755009  0.403619  0.464641  1
  Fe  Fe48  1  0.105241  0.438774  0.446384  1
  Fe  Fe49  1  0.204569  0.551160  0.520484  1
  Fe  Fe50  1  0.557785  0.591122  0.499012  1
  Fe  Fe51  1  0.855378  0.517213  0.538303  1
  Fe  Fe52  1  0.204569  0.051160  0.520484  1
  Fe  Fe53  1  0.557785  0.091122  0.499012  1
  Fe  Fe54  1  0.855378  0.017213  0.538303  1
  Fe  Fe55  1  0.359177  0.776378  0.534239  1
  Fe  Fe56  1  0.707530  0.806906  0.517244  1
  Fe  Fe57  1  0.057844  0.841113  0.498925  1
  Fe  Fe58  1  0.359177  0.276378  0.534239  1
  Fe  Fe59  1  0.707530  0.306906  0.517244  1
  Fe  Fe60  1  0.057844  0.341113  0.498925  1
  Fe  Fe61  1  0.159848  0.458856  0.571273  1
  Fe  Fe62  1  0.508842  0.495421  0.551477  1
  Fe  Fe63  1  0.810435  0.424162  0.589516  1
  Fe  Fe64  1  0.159848  0.958856  0.571273  1
  Fe  Fe65  1  0.508842  0.995421  0.551477  1
  Fe  Fe66  1  0.810435  0.924162  0.589516  1
  Fe  Fe67  1  0.304691  0.660891  0.596342  1
  Fe  Fe68  1  0.661589  0.711053  0.570106  1
  Fe  Fe69  1  0.010478  0.743418  0.551616  1
  Fe  Fe70  1  0.304691  0.160891  0.596342  1
  Fe  Fe71  1  0.661589  0.211053  0.570106  1
  Fe  Fe72  1  0.010478  0.243418  0.551616  1
  Fe  Fe73  1  0.105291  0.344461  0.632233  1
  Fe  Fe74  1  0.457278  0.373037  0.613406  1
  Fe  Fe75  1  0.755090  0.308887  0.650584  1
  Fe  Fe76  1  0.105291  0.844461  0.632233  1
  Fe  Fe77  1  0.457278  0.873037  0.613406  1
  Fe  Fe78  1  0.755090  0.808887  0.650584  1
  Fe  Fe79  1  0.256693  0.564452  0.647812  1
  Fe  Fe80  1  0.603041  0.589611  0.630820  1
  Fe  Fe81  1  0.954192  0.626732  0.613105  1
  Fe  Fe82  1  0.256693  0.064452  0.647812  1
  Fe  Fe83  1  0.603041  0.089611  0.630820  1
  Fe  Fe84  1  0.954192  0.126732  0.613105  1
  Fe  Fe85  1  0.049011  0.252016  0.678668  1
  Fe  Fe86  1  0.411504  0.277804  0.664162  1
  Fe  Fe87  1  0.704352  0.213319  0.696574  1
  Fe  Fe88  1  0.049011  0.752016  0.678668  1
  Fe  Fe89  1  0.411504  0.777804  0.664162  1
  Fe  Fe90  1  0.704352  0.713319  0.696574  1
  Fe  Fe91  1  0.211514  0.463847  0.695693  1
  Fe  Fe92  1  0.560176  0.498463  0.682732  1
  Fe  Fe93  1  0.908351  0.534563  0.663853  1
  Fe  Fe94  1  0.211514  0.963847  0.695693  1
  Fe  Fe95  1  0.560176  0.998463  0.682732  1
  Fe  Fe96  1  0.908351  0.034563  0.663853  1
  P  P97  1  0.664651  0.155622  0.284931  1
  P  P98  1  0.973686  0.085094  0.321031  1
  P  P99  1  0.324453  0.114500  0.303150  1
  P  P100  1  0.664651  0.655622  0.284931  1
  P  P101  1  0.973686  0.585094  0.321031  1
  P  P102  1  0.324453  0.614500  0.303150  1
  P  P103  1  0.495074  0.312557  0.283791  1
  P  P104  1  0.791192  0.251692  0.320373  1
  P  P105  1  0.139803  0.282027  0.301398  1
  P  P106  1  0.495074  0.812557  0.283791  1
  P  P107  1  0.791192  0.751692  0.320373  1
  P  P108  1  0.139803  0.782027  0.301398  1
  P  P109  1  0.659725  0.404210  0.283916  1
  P  P110  1  0.961419  0.340682  0.319522  1
  P  P111  1  0.313094  0.370582  0.301089  1
  P  P112  1  0.659725  0.904210  0.283916  1
  P  P113  1  0.961419  0.840682  0.319522  1
  P  P114  1  0.313094  0.870582  0.301089  1
  P  P115  1  0.503880  0.062990  0.285426  1
  P  P116  1  0.806701  0.998931  0.322415  1
  P  P117  1  0.155711  0.029192  0.303111  1
  P  P118  1  0.503880  0.562990  0.285426  1
  P  P119  1  0.806701  0.498931  0.322415  1
  P  P120  1  0.155711  0.529192  0.303111  1
  P  P121  1  0.620290  0.053134  0.343230  1
  P  P122  1  0.924423  0.985935  0.378302  1
  P  P123  1  0.274815  0.017181  0.359763  1
  P  P124  1  0.620290  0.553134  0.343230  1
  P  P125  1  0.924423  0.485935  0.378302  1
  P  P126  1  0.274815  0.517181  0.359763  1
  P  P127  1  0.441926  0.211051  0.340698  1
  P  P128  1  0.744279  0.150246  0.376246  1
  P  P129  1  0.093125  0.180951  0.357973  1
  P  P130  1  0.441926  0.711051  0.340698  1
  P  P131  1  0.744279  0.650246  0.376246  1
  P  P132  1  0.093125  0.680951  0.357973  1
  P  P133  1  0.608537  0.303240  0.339741  1
  P  P134  1  0.914353  0.238319  0.378214  1
  P  P135  1  0.263091  0.270667  0.359591  1
  P  P136  1  0.608537  0.803240  0.339741  1
  P  P137  1  0.914353  0.738319  0.378214  1
  P  P138  1  0.263091  0.770667  0.359591  1
  P  P139  1  0.460183  0.959093  0.343396  1
  P  P140  1  0.758167  0.895519  0.377673  1
  P  P141  1  0.111432  0.926693  0.361244  1
  P  P142  1  0.460183  0.459093  0.343396  1
  P  P143  1  0.758167  0.395519  0.377673  1
  P  P144  1  0.111432  0.426693  0.361244  1
  P  P145  1  0.573402  0.949015  0.398305  1
  P  P146  1  0.868016  0.881834  0.434203  1
  P  P147  1  0.219486  0.917139  0.416486  1
  P  P148  1  0.573402  0.449015  0.398305  1
  P  P149  1  0.868016  0.381834  0.434203  1
  P  P150  1  0.219486  0.417139  0.416486  1
  P  P151  1  0.393527  0.113681  0.396072  1
  P  P152  1  0.697462  0.042179  0.432994  1
  P  P153  1  0.047847  0.075925  0.414616  1
  P  P154  1  0.393527  0.613681  0.396072  1
  P  P155  1  0.697462  0.542179  0.432994  1
  P  P156  1  0.047847  0.575925  0.414616  1
  P  P157  1  0.562262  0.203715  0.397364  1
  P  P158  1  0.858913  0.132281  0.432873  1
  P  P159  1  0.208201  0.167179  0.414674  1
  P  P160  1  0.562262  0.703715  0.397364  1
  P  P161  1  0.858913  0.632281  0.432873  1
  P  P162  1  0.208201  0.667179  0.414674  1
  P  P163  1  0.403051  0.858836  0.397030  1
  P  P164  1  0.702104  0.790897  0.433579  1
  P  P165  1  0.052043  0.825784  0.415323  1
  P  P166  1  0.403051  0.358836  0.397030  1
  P  P167  1  0.702104  0.290897  0.433579  1
  P  P168  1  0.052043  0.325784  0.415323  1
  P  P169  1  0.518136  0.846005  0.453610  1
  P  P170  1  0.821634  0.775143  0.490463  1
  P  P171  1  0.171664  0.809187  0.472214  1
  P  P172  1  0.518136  0.346005  0.453610  1
  P  P173  1  0.821634  0.275143  0.490463  1
  P  P174  1  0.171664  0.309187  0.472214  1
  P  P175  1  0.345634  0.006588  0.451813  1
  P  P176  1  0.642787  0.938807  0.488511  1
  P  P177  1  0.992347  0.973514  0.470144  1
  P  P178  1  0.345634  0.506588  0.451813  1
  P  P179  1  0.642787  0.438807  0.488511  1
  P  P180  1  0.992347  0.473514  0.470144  1
  P  P181  1  0.509469  0.095854  0.452454  1
  P  P182  1  0.812054  0.028871  0.489507  1
  P  P183  1  0.162833  0.062641  0.471424  1
  P  P184  1  0.509469  0.595854  0.452454  1
  P  P185  1  0.812054  0.528871  0.489507  1
  P  P186  1  0.162833  0.562641  0.471424  1
  P  P187  1  0.356294  0.757269  0.453355  1
  P  P188  1  0.656035  0.685931  0.490153  1
  P  P189  1  0.007136  0.721065  0.471433  1
  P  P190  1  0.356294  0.257269  0.453355  1
  P  P191  1  0.656035  0.185931  0.490153  1
  P  P192  1  0.007136  0.221065  0.471433  1
  P  P193  1  0.472287  0.741723  0.509734  1
  P  P194  1  0.773556  0.674079  0.545940  1
  P  P195  1  0.123212  0.708597  0.527694  1
  P  P196  1  0.472287  0.241723  0.509734  1
  P  P197  1  0.773556  0.174079  0.545940  1
  P  P198  1  0.123212  0.208597  0.527694  1
  P  P199  1  0.292120  0.906226  0.507868  1
  P  P200  1  0.593636  0.839392  0.543988  1
  P  P201  1  0.943768  0.871986  0.525503  1
  P  P202  1  0.292120  0.406226  0.507868  1
  P  P203  1  0.593636  0.339392  0.543988  1
  P  P204  1  0.943768  0.371986  0.525503  1
  P  P205  1  0.458380  0.996261  0.507681  1
  P  P206  1  0.759429  0.926037  0.544616  1
  P  P207  1  0.108291  0.960708  0.526528  1
  P  P208  1  0.458380  0.496261  0.507681  1
  P  P209  1  0.759429  0.426037  0.544616  1
  P  P210  1  0.108291  0.460708  0.526528  1
  P  P211  1  0.302857  0.652242  0.508480  1
  P  P212  1  0.606051  0.586168  0.545504  1
  P  P213  1  0.953656  0.618723  0.526535  1
  P  P214  1  0.302857  0.152242  0.508480  1
  P  P215  1  0.606051  0.086168  0.545504  1
  P  P216  1  0.953656  0.118723  0.526535  1
  P  P217  1  0.418107  0.639787  0.565321  1
  P  P218  1  0.717760  0.570973  0.601388  1
  P  P219  1  0.068374  0.606530  0.583310  1
  P  P220  1  0.418107  0.139787  0.565321  1
  P  P221  1  0.717760  0.070973  0.601388  1
  P  P222  1  0.068374  0.106530  0.583310  1
  P  P223  1  0.246689  0.799670  0.564107  1
  P  P224  1  0.546249  0.728572  0.599589  1
  P  P225  1  0.896305  0.765833  0.581453  1
  P  P226  1  0.246689  0.299670  0.564107  1
  P  P227  1  0.546249  0.228572  0.599589  1
  P  P228  1  0.896305  0.265833  0.581453  1
  P  P229  1  0.412818  0.890030  0.564659  1
  P  P230  1  0.712600  0.823379  0.600875  1
  P  P231  1  0.063730  0.856421  0.582596  1
  P  P232  1  0.412818  0.390030  0.564659  1
  P  P233  1  0.712600  0.323379  0.600875  1
  P  P234  1  0.063730  0.356421  0.582596  1
  P  P235  1  0.256600  0.549926  0.565318  1
  P  P236  1  0.552578  0.476911  0.600653  1
  P  P237  1  0.907264  0.514241  0.583146  1
  P  P238  1  0.256600  0.049926  0.565318  1
  P  P239  1  0.552578  0.976911  0.600653  1
  P  P240  1  0.907264  0.014241  0.583146  1
  P  P241  1  0.370960  0.529651  0.621531  1
  P  P242  1  0.672859  0.464728  0.657682  1
  P  P243  1  0.023335  0.500852  0.639658  1
  P  P244  1  0.370960  0.029651  0.621531  1
  P  P245  1  0.672859  0.964728  0.657682  1
  P  P246  1  0.023335  1.000852  0.639658  1
  P  P247  1  0.191438  0.696609  0.620394  1
  P  P248  1  0.492105  0.625253  0.655503  1
  P  P249  1  0.840803  0.663749  0.637282  1
  P  P250  1  0.191438  0.196609  0.620394  1
  P  P251  1  0.492105  0.125253  0.655503  1
  P  P252  1  0.840803  0.163749  0.637282  1
  P  P253  1  0.357215  0.784351  0.620140  1
  P  P254  1  0.655931  0.716608  0.654590  1
  P  P255  1  0.004385  0.755005  0.636333  1
  P  P256  1  0.357215  0.284351  0.620140  1
  P  P257  1  0.655931  0.216608  0.654590  1
  P  P258  1  0.004385  0.255005  0.636333  1
  P  P259  1  0.201293  0.444217  0.619991  1
  P  P260  1  0.506867  0.373503  0.657496  1
  P  P261  1  0.851078  0.410989  0.638541  1
  P  P262  1  0.201293  0.944217  0.619991  1
  P  P263  1  0.506867  0.873503  0.657496  1
  P  P264  1  0.851078  0.910989  0.638541  1
  P  P265  1  0.322839  0.427159  0.676842  1
  P  P266  1  0.618231  0.359193  0.713724  1
  P  P267  1  0.966541  0.398244  0.695170  1
  P  P268  1  0.322839  0.927159  0.676842  1
  P  P269  1  0.618231  0.859193  0.713724  1
  P  P270  1  0.966541  0.898244  0.695170  1
  P  P271  1  0.141562  0.597559  0.676996  1
  P  P272  1  0.451703  0.518683  0.711882  1
  P  P273  1  0.796253  0.559636  0.694503  1
  P  P274  1  0.141562  0.097559  0.676996  1
  P  P275  1  0.451703  0.018683  0.711882  1
  P  P276  1  0.796253  0.059636  0.694503  1
  P  P277  1  0.311721  0.680210  0.677441  1
  P  P278  1  0.613989  0.611080  0.712548  1
  P  P279  1  0.960886  0.647919  0.694353  1
  P  P280  1  0.311721  0.180210  0.677441  1
  P  P281  1  0.613989  0.111080  0.712548  1
  P  P282  1  0.960886  0.147919  0.694353  1
  P  P283  1  0.151895  0.341164  0.678906  1
  P  P284  1  0.451835  0.267524  0.711535  1
  P  P285  1  0.801425  0.307689  0.696648  1
  P  P286  1  0.151895  0.841164  0.678906  1
  P  P287  1  0.451835  0.767524  0.711535  1
  P  P288  1  0.801425  0.807689  0.696648  1
