# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.82580440
_cell_length_b   15.27903241
_cell_length_c   45.77928096
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.19714374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe80 P160'
_cell_volume   9488.01769907
_cell_formula_units_Z   80
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  0.807047  0.864692  0.321466  1
  Fe  Fe2  1  0.356343  0.915709  0.298127  1
  Fe  Fe3  1  0.856443  0.415444  0.298153  1
  Fe  Fe4  1  0.395012  0.470088  0.277721  1
  Fe  Fe5  1  0.053844  0.116258  0.316804  1
  Fe  Fe6  1  0.617069  0.164286  0.301527  1
  Fe  Fe7  1  0.110265  0.664959  0.300854  1
  Fe  Fe8  1  0.553701  0.617849  0.316121  1
  Fe  Fe9  1  0.707340  0.777700  0.360386  1
  Fe  Fe10  1  0.262306  0.833482  0.336035  1
  Fe  Fe11  1  0.763210  0.332963  0.335891  1
  Fe  Fe12  1  0.309946  0.373750  0.317346  1
  Fe  Fe13  1  0.956345  0.026244  0.359707  1
  Fe  Fe14  1  0.508121  0.077160  0.338227  1
  Fe  Fe15  1  0.005009  0.576648  0.338675  1
  Fe  Fe16  1  0.461898  0.535923  0.359991  1
  Fe  Fe17  1  0.611998  0.692252  0.404280  1
  Fe  Fe18  1  0.151572  0.725018  0.387062  1
  Fe  Fe19  1  0.649377  0.227943  0.387841  1
  Fe  Fe20  1  0.216278  0.282232  0.356892  1
  Fe  Fe21  1  0.863301  0.939820  0.403345  1
  Fe  Fe22  1  0.412766  0.988485  0.381164  1
  Fe  Fe23  1  0.912502  0.487861  0.381628  1
  Fe  Fe24  1  0.350750  0.430668  0.409070  1
  Fe  Fe25  1  0.499123  0.587022  0.455153  1
  Fe  Fe26  1  0.052019  0.641342  0.430311  1
  Fe  Fe27  1  0.556598  0.135446  0.430097  1
  Fe  Fe28  1  0.099913  0.179077  0.408681  1
  Fe  Fe29  1  0.747949  0.838389  0.456348  1
  Fe  Fe30  1  0.300745  0.885702  0.431932  1
  Fe  Fe31  1  0.801662  0.385594  0.432030  1
  Fe  Fe32  1  0.257686  0.344579  0.450308  1
  Fe  Fe33  1  0.405970  0.502071  0.496860  1
  Fe  Fe34  1  0.960540  0.550324  0.473416  1
  Fe  Fe35  1  0.458266  0.053034  0.473462  1
  Fe  Fe36  1  0.004431  0.092274  0.452479  1
  Fe  Fe37  1  0.652331  0.747629  0.498205  1
  Fe  Fe38  1  0.208531  0.798799  0.473735  1
  Fe  Fe39  1  0.707944  0.299782  0.473885  1
  Fe  Fe40  1  0.147245  0.245345  0.501149  1
  Fe  Fe41  1  0.296333  0.399296  0.547017  1
  Fe  Fe42  1  0.843993  0.446443  0.524481  1
  Fe  Fe43  1  0.344962  0.944608  0.524254  1
  Fe  Fe44  1  0.908389  0.004737  0.496095  1
  Fe  Fe45  1  0.557270  0.660360  0.542007  1
  Fe  Fe46  1  0.096645  0.697958  0.523672  1
  Fe  Fe47  1  0.597886  0.197417  0.523712  1
  Fe  Fe48  1  0.055838  0.160167  0.543311  1
  Fe  Fe49  1  0.203437  0.315257  0.589084  1
  Fe  Fe50  1  0.750743  0.359128  0.567474  1
  Fe  Fe51  1  0.250676  0.858443  0.567339  1
  Fe  Fe52  1  0.794605  0.897125  0.547736  1
  Fe  Fe53  1  0.442937  0.556361  0.592330  1
  Fe  Fe54  1  0.005488  0.610378  0.565685  1
  Fe  Fe55  1  0.504792  0.111579  0.565464  1
  Fe  Fe56  1  0.941622  0.054113  0.592345  1
  Fe  Fe57  1  0.089055  0.213516  0.640306  1
  Fe  Fe58  1  0.655813  0.270494  0.609352  1
  Fe  Fe59  1  0.155628  0.771196  0.609977  1
  Fe  Fe60  1  0.698903  0.810840  0.590669  1
  Fe  Fe61  1  0.353021  0.474184  0.635796  1
  Fe  Fe62  1  0.893508  0.508213  0.616814  1
  Fe  Fe63  1  0.393100  0.008838  0.616457  1
  Fe  Fe64  1  0.847866  0.966147  0.636108  1
  Fe  Fe65  1  0.992635  0.120934  0.679161  1
  Fe  Fe66  1  0.542459  0.165453  0.661413  1
  Fe  Fe67  1  0.045727  0.662001  0.661418  1
  Fe  Fe68  1  0.598733  0.719403  0.636873  1
  Fe  Fe69  1  0.244231  0.367245  0.684497  1
  Fe  Fe70  1  0.798245  0.420755  0.659527  1
  Fe  Fe71  1  0.300569  0.920449  0.658988  1
  Fe  Fe72  1  0.750950  0.873656  0.682446  1
  Fe  Fe73  1  0.911042  0.025745  0.720220  1
  Fe  Fe74  1  0.450371  0.081990  0.699227  1
  Fe  Fe75  1  0.950307  0.581961  0.699395  1
  Fe  Fe76  1  0.496142  0.630435  0.675024  1
  Fe  Fe77  1  0.157891  0.279114  0.720697  1
  Fe  Fe78  1  0.690356  0.333517  0.696261  1
  Fe  Fe79  1  0.195729  0.830944  0.696482  1
  Fe  Fe80  1  0.661218  0.783101  0.720580  1
  P  P81  1  0.225533  0.075815  0.297123  1
  P  P82  1  0.767175  0.124858  0.277147  1
  P  P83  1  0.268952  0.619426  0.275651  1
  P  P84  1  0.724302  0.574923  0.296410  1
  P  P85  1  0.995845  0.265271  0.285622  1
  P  P86  1  0.447657  0.218823  0.305372  1
  P  P87  1  0.942661  0.717885  0.305987  1
  P  P88  1  0.493268  0.764114  0.284657  1
  P  P89  1  0.197048  0.306754  0.305329  1
  P  P90  1  0.742382  0.351671  0.284223  1
  P  P91  1  0.241265  0.852234  0.284235  1
  P  P92  1  0.692904  0.803705  0.307218  1
  P  P93  1  0.025726  0.040529  0.276049  1
  P  P94  1  0.477896  0.989684  0.297332  1
  P  P95  1  0.977275  0.489559  0.297358  1
  P  P96  1  0.522217  0.533258  0.275143  1
  P  P97  1  0.126493  0.981577  0.345492  1
  P  P98  1  0.678708  0.020687  0.322815  1
  P  P99  1  0.176208  0.526078  0.324436  1
  P  P100  1  0.628925  0.482981  0.345603  1
  P  P101  1  0.887259  0.171909  0.331143  1
  P  P102  1  0.339924  0.125296  0.351837  1
  P  P103  1  0.837815  0.622706  0.352269  1
  P  P104  1  0.385484  0.672520  0.330387  1
  P  P105  1  0.093132  0.209963  0.354541  1
  P  P106  1  0.640924  0.262606  0.334324  1
  P  P107  1  0.139695  0.761392  0.333773  1
  P  P108  1  0.588345  0.712901  0.353400  1
  P  P109  1  0.927425  0.937603  0.320241  1
  P  P110  1  0.381689  0.892780  0.345858  1
  P  P111  1  0.882485  0.390892  0.346036  1
  P  P112  1  0.432130  0.437323  0.324120  1
  P  P113  1  0.027856  0.887518  0.391190  1
  P  P114  1  0.578212  0.934453  0.368431  1
  P  P115  1  0.078590  0.430634  0.367280  1
  P  P116  1  0.522452  0.390745  0.392190  1
  P  P117  1  0.785753  0.078236  0.375646  1
  P  P118  1  0.241416  0.028269  0.399867  1
  P  P119  1  0.741488  0.529540  0.400137  1
  P  P120  1  0.291095  0.575299  0.377277  1
  P  P121  1  0.983648  0.119948  0.399816  1
  P  P122  1  0.535887  0.165054  0.378465  1
  P  P123  1  0.035125  0.664756  0.378451  1
  P  P124  1  0.488935  0.620604  0.401077  1
  P  P125  1  0.832164  0.840792  0.368966  1
  P  P126  1  0.275769  0.798272  0.389966  1
  P  P127  1  0.772931  0.300757  0.390215  1
  P  P128  1  0.332585  0.342889  0.367869  1
  P  P129  1  0.919576  0.797788  0.437576  1
  P  P130  1  0.471691  0.843527  0.413873  1
  P  P131  1  0.971953  0.342135  0.414140  1
  P  P132  1  0.424340  0.293144  0.437899  1
  P  P133  1  0.691900  0.980089  0.423040  1
  P  P134  1  0.135200  0.938247  0.445304  1
  P  P135  1  0.634949  0.438924  0.445557  1
  P  P136  1  0.184191  0.483779  0.421983  1
  P  P137  1  0.884251  0.025644  0.445441  1
  P  P138  1  0.433943  0.073110  0.422710  1
  P  P139  1  0.934611  0.571832  0.422804  1
  P  P140  1  0.381682  0.526244  0.445917  1
  P  P141  1  0.726962  0.753387  0.413482  1
  P  P142  1  0.173895  0.705757  0.437047  1
  P  P143  1  0.675446  0.204829  0.437180  1
  P  P144  1  0.222785  0.251729  0.411656  1
  P  P145  1  0.821844  0.698846  0.483158  1
  P  P146  1  0.374922  0.745962  0.460109  1
  P  P147  1  0.874247  0.246519  0.460182  1
  P  P148  1  0.317437  0.202659  0.482217  1
  P  P149  1  0.583105  0.891210  0.468548  1
  P  P150  1  0.036345  0.842061  0.491424  1
  P  P151  1  0.536670  0.341530  0.491629  1
  P  P152  1  0.088106  0.388206  0.468561  1
  P  P153  1  0.785530  0.931455  0.493441  1
  P  P154  1  0.335300  0.979121  0.470255  1
  P  P155  1  0.835781  0.479181  0.470238  1
  P  P156  1  0.284380  0.430894  0.492786  1
  P  P157  1  0.622593  0.658343  0.458357  1
  P  P158  1  0.075450  0.612242  0.482201  1
  P  P159  1  0.575715  0.111765  0.482337  1
  P  P160  1  0.124889  0.158724  0.459652  1
  P  P161  1  0.722414  0.606897  0.529029  1
  P  P162  1  0.268364  0.655642  0.505995  1
  P  P163  1  0.769508  0.155888  0.505935  1
  P  P164  1  0.222794  0.105485  0.529743  1
  P  P165  1  0.482745  0.797910  0.514060  1
  P  P166  1  0.930356  0.749947  0.537318  1
  P  P167  1  0.430093  0.250417  0.536838  1
  P  P168  1  0.980667  0.298268  0.514534  1
  P  P169  1  0.678333  0.838613  0.538210  1
  P  P170  1  0.230116  0.883896  0.515220  1
  P  P171  1  0.730457  0.384109  0.515351  1
  P  P172  1  0.178614  0.338581  0.538081  1
  P  P173  1  0.524359  0.564997  0.505807  1
  P  P174  1  0.969555  0.517716  0.527321  1
  P  P175  1  0.468378  0.018897  0.527200  1
  P  P176  1  0.024090  0.065573  0.505222  1
  P  P177  1  0.613970  0.516371  0.574648  1
  P  P178  1  0.170697  0.557496  0.551712  1
  P  P179  1  0.670398  0.057047  0.551698  1
  P  P180  1  0.113354  0.015912  0.574683  1
  P  P181  1  0.385183  0.700025  0.559762  1
  P  P182  1  0.834642  0.652727  0.583682  1
  P  P183  1  0.334425  0.154188  0.583824  1
  P  P184  1  0.885804  0.199878  0.560320  1
  P  P185  1  0.580711  0.744713  0.584116  1
  P  P186  1  0.129230  0.792496  0.560286  1
  P  P187  1  0.629629  0.292642  0.560157  1
  P  P188  1  0.081599  0.244266  0.585656  1
  P  P189  1  0.418230  0.470969  0.550463  1
  P  P190  1  0.871878  0.423836  0.574998  1
  P  P191  1  0.370910  0.924496  0.574872  1
  P  P192  1  0.917721  0.970827  0.550169  1
  P  P193  1  0.519509  0.418487  0.621146  1
  P  P194  1  0.064170  0.468228  0.598191  1
  P  P195  1  0.563451  0.968730  0.597731  1
  P  P196  1  0.017657  0.917589  0.620962  1
  P  P197  1  0.277066  0.609667  0.605567  1
  P  P198  1  0.727711  0.563344  0.628927  1
  P  P199  1  0.225779  0.064348  0.629493  1
  P  P200  1  0.776331  0.108352  0.605199  1
  P  P201  1  0.473011  0.656696  0.627763  1
  P  P202  1  0.032109  0.695960  0.607698  1
  P  P203  1  0.531044  0.197208  0.607347  1
  P  P204  1  0.971619  0.152449  0.629381  1
  P  P205  1  0.320685  0.376758  0.598250  1
  P  P206  1  0.770302  0.332186  0.619152  1
  P  P207  1  0.270179  0.832568  0.618903  1
  P  P208  1  0.820304  0.874446  0.597843  1
  P  P209  1  0.412638  0.326239  0.666401  1
  P  P210  1  0.967126  0.370527  0.646273  1
  P  P211  1  0.469274  0.873425  0.645401  1
  P  P212  1  0.919042  0.825141  0.667021  1
  P  P213  1  0.182440  0.509893  0.653149  1
  P  P214  1  0.626468  0.475865  0.674008  1
  P  P215  1  0.129124  0.969994  0.673238  1
  P  P216  1  0.678537  0.012613  0.652250  1
  P  P217  1  0.377052  0.557568  0.676845  1
  P  P218  1  0.923112  0.605250  0.651973  1
  P  P219  1  0.421445  0.107069  0.651825  1
  P  P220  1  0.869939  0.060179  0.674134  1
  P  P221  1  0.212343  0.284456  0.642796  1
  P  P222  1  0.663183  0.237199  0.662850  1
  P  P223  1  0.167171  0.734427  0.663398  1
  P  P224  1  0.717663  0.784943  0.642918  1
  P  P225  1  0.320530  0.225107  0.715862  1
  P  P226  1  0.859140  0.278013  0.692247  1
  P  P227  1  0.364002  0.778284  0.691254  1
  P  P228  1  0.822476  0.729508  0.715155  1
  P  P229  1  0.073143  0.423672  0.701734  1
  P  P230  1  0.536762  0.372667  0.719699  1
  P  P231  1  0.036389  0.876007  0.721592  1
  P  P232  1  0.577186  0.925691  0.701100  1
  P  P233  1  0.279951  0.454084  0.722064  1
  P  P234  1  0.825632  0.509543  0.700594  1
  P  P235  1  0.327337  0.008034  0.700324  1
  P  P236  1  0.783953  0.961155  0.722829  1
  P  P237  1  0.109971  0.186157  0.692093  1
  P  P238  1  0.568500  0.144921  0.712862  1
  P  P239  1  0.069561  0.643516  0.713109  1
  P  P240  1  0.614051  0.691570  0.690229  1
