# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67878190
_cell_length_b   24.39607146
_cell_length_c   51.11995223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12070.6606344
_cell_formula_units_Z   48
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  0.121819  0.283118  0.333676  1
  Fe  Fe2  1  0.120818  0.667634  0.297632  1
  Fe  Fe3  1  0.121995  0.897750  0.370183  1
  Fe  Fe4  1  0.382659  0.473728  0.315534  1
  Fe  Fe5  1  0.380650  0.863309  0.279996  1
  Fe  Fe6  1  0.384092  0.091232  0.351365  1
  Fe  Fe7  1  0.623955  0.363309  0.279996  1
  Fe  Fe8  1  0.620513  0.591232  0.351365  1
  Fe  Fe9  1  0.621946  0.973728  0.315534  1
  Fe  Fe10  1  0.882610  0.397750  0.370183  1
  Fe  Fe11  1  0.882786  0.783118  0.333676  1
  Fe  Fe12  1  0.883787  0.167634  0.297632  1
  Fe  Fe13  1  0.123489  0.128069  0.444476  1
  Fe  Fe14  1  0.124672  0.512934  0.407525  1
  Fe  Fe15  1  0.123833  0.743135  0.481642  1
  Fe  Fe16  1  0.380816  0.320399  0.425996  1
  Fe  Fe17  1  0.382438  0.705845  0.388735  1
  Fe  Fe18  1  0.380690  0.935613  0.463141  1
  Fe  Fe19  1  0.622167  0.205845  0.388735  1
  Fe  Fe20  1  0.623915  0.435613  0.463141  1
  Fe  Fe21  1  0.623789  0.820399  0.425996  1
  Fe  Fe22  1  0.880772  0.243135  0.481642  1
  Fe  Fe23  1  0.881116  0.628069  0.444476  1
  Fe  Fe24  1  0.879933  0.012934  0.407525  1
  Fe  Fe25  1  0.124131  0.973449  0.555982  1
  Fe  Fe26  1  0.123638  0.358319  0.518754  1
  Fe  Fe27  1  0.123059  0.588295  0.592958  1
  Fe  Fe28  1  0.381003  0.165800  0.537326  1
  Fe  Fe29  1  0.380955  0.550745  0.500218  1
  Fe  Fe30  1  0.380822  0.781090  0.574313  1
  Fe  Fe31  1  0.623650  0.050745  0.500218  1
  Fe  Fe32  1  0.623783  0.281090  0.574313  1
  Fe  Fe33  1  0.623602  0.665800  0.537326  1
  Fe  Fe34  1  0.881545  0.088295  0.592958  1
  Fe  Fe35  1  0.880473  0.473449  0.555982  1
  Fe  Fe36  1  0.880967  0.858319  0.518754  1
  Fe  Fe37  1  0.124121  0.818458  0.666908  1
  Fe  Fe38  1  0.122567  0.203641  0.629780  1
  Fe  Fe39  1  0.117024  0.433674  0.702833  1
  Fe  Fe40  1  0.385646  0.010487  0.649193  1
  Fe  Fe41  1  0.381643  0.395697  0.611826  1
  Fe  Fe42  1  0.379262  0.626716  0.684379  1
  Fe  Fe43  1  0.622962  0.895697  0.611826  1
  Fe  Fe44  1  0.625343  0.126716  0.684379  1
  Fe  Fe45  1  0.618959  0.510487  0.649193  1
  Fe  Fe46  1  0.887581  0.933674  0.702833  1
  Fe  Fe47  1  0.880484  0.318458  0.666908  1
  Fe  Fe48  1  0.882038  0.703641  0.629780  1
  P  P49  1  0.763115  0.422307  0.297086  1
  P  P50  1  0.753828  0.650611  0.371217  1
  P  P51  1  0.753396  0.035546  0.333940  1
  P  P52  1  0.992497  0.321431  0.303746  1
  P  P53  1  0.990730  0.552474  0.379099  1
  P  P54  1  0.988555  0.937792  0.341596  1
  P  P55  1  0.250777  0.150611  0.371217  1
  P  P56  1  0.251209  0.535546  0.333940  1
  P  P57  1  0.241490  0.922307  0.297086  1
  P  P58  1  0.016050  0.437792  0.341596  1
  P  P59  1  0.012108  0.821431  0.303746  1
  P  P60  1  0.013875  0.052474  0.379099  1
  P  P61  1  0.250847  0.414540  0.294710  1
  P  P62  1  0.252428  0.645066  0.369389  1
  P  P63  1  0.251199  0.029087  0.333502  1
  P  P64  1  0.753406  0.529087  0.333502  1
  P  P65  1  0.753758  0.914540  0.294710  1
  P  P66  1  0.752177  0.145066  0.369389  1
  P  P67  1  0.016917  0.516615  0.289207  1
  P  P68  1  0.015793  0.743141  0.362077  1
  P  P69  1  0.012635  0.128027  0.326388  1
  P  P70  1  0.988812  0.243141  0.362077  1
  P  P71  1  0.991970  0.628027  0.326388  1
  P  P72  1  0.987688  0.016615  0.289207  1
  P  P73  1  0.255204  0.342992  0.352790  1
  P  P74  1  0.257225  0.727837  0.315014  1
  P  P75  1  0.240247  0.103347  0.281038  1
  P  P76  1  0.489392  0.245139  0.359943  1
  P  P77  1  0.493064  0.630270  0.321431  1
  P  P78  1  0.495557  0.014114  0.285857  1
  P  P79  1  0.747380  0.227837  0.315014  1
  P  P80  1  0.764358  0.603347  0.281038  1
  P  P81  1  0.749401  0.842992  0.352790  1
  P  P82  1  0.509048  0.514114  0.285857  1
  P  P83  1  0.515213  0.745139  0.359943  1
  P  P84  1  0.511541  0.130270  0.321431  1
  P  P85  1  0.751073  0.337289  0.350736  1
  P  P86  1  0.756626  0.721245  0.313293  1
  P  P87  1  0.748895  0.952523  0.388054  1
  P  P88  1  0.255710  0.452523  0.388054  1
  P  P89  1  0.253532  0.837289  0.350736  1
  P  P90  1  0.247979  0.221245  0.313293  1
  P  P91  1  0.516321  0.434660  0.343876  1
  P  P92  1  0.517510  0.820081  0.306060  1
  P  P93  1  0.513630  0.050633  0.380281  1
  P  P94  1  0.487095  0.320081  0.306060  1
  P  P95  1  0.490975  0.550633  0.380281  1
  P  P96  1  0.488283  0.934660  0.343876  1
  P  P97  1  0.754669  0.265668  0.408410  1
  P  P98  1  0.755307  0.496033  0.482575  1
  P  P99  1  0.754967  0.880796  0.445526  1
  P  P100  1  0.989757  0.167641  0.415905  1
  P  P101  1  0.990232  0.398084  0.490241  1
  P  P102  1  0.990311  0.782836  0.453117  1
  P  P103  1  0.249298  0.996033  0.482575  1
  P  P104  1  0.249638  0.380796  0.445526  1
  P  P105  1  0.249936  0.765668  0.408410  1
  P  P106  1  0.014294  0.282836  0.453117  1
  P  P107  1  0.014848  0.667641  0.415905  1
  P  P108  1  0.014373  0.898084  0.490241  1
  P  P109  1  0.249229  0.260091  0.406531  1
  P  P110  1  0.249480  0.490408  0.480746  1
  P  P111  1  0.249221  0.875179  0.443707  1
  P  P112  1  0.755384  0.375179  0.443707  1
  P  P113  1  0.755376  0.760091  0.406531  1
  P  P114  1  0.755125  0.990408  0.480746  1
  P  P115  1  0.014448  0.358204  0.399023  1
  P  P116  1  0.014372  0.588325  0.473052  1
  P  P117  1  0.013780  0.973267  0.436050  1
  P  P118  1  0.990233  0.088325  0.473052  1
  P  P119  1  0.990825  0.473267  0.436050  1
  P  P120  1  0.990157  0.858204  0.399023  1
  P  P121  1  0.255008  0.188307  0.464039  1
  P  P122  1  0.255976  0.573400  0.426939  1
  P  P123  1  0.253803  0.957646  0.390101  1
  P  P124  1  0.490064  0.090482  0.471700  1
  P  P125  1  0.490646  0.475328  0.434579  1
  P  P126  1  0.489663  0.859987  0.397550  1
  P  P127  1  0.748628  0.073400  0.426939  1
  P  P128  1  0.750802  0.457646  0.390101  1
  P  P129  1  0.749597  0.688307  0.464039  1
  P  P130  1  0.514942  0.359987  0.397550  1
  P  P131  1  0.514541  0.590482  0.471700  1
  P  P132  1  0.513959  0.975328  0.434579  1
  P  P133  1  0.749254  0.182826  0.462157  1
  P  P134  1  0.749389  0.567778  0.424978  1
  P  P135  1  0.749581  0.797958  0.499255  1
  P  P136  1  0.255024  0.297958  0.499255  1
  P  P137  1  0.255351  0.682826  0.462157  1
  P  P138  1  0.255216  0.067778  0.424978  1
  P  P139  1  0.514118  0.280740  0.454583  1
  P  P140  1  0.514355  0.665790  0.417448  1
  P  P141  1  0.514388  0.895887  0.491631  1
  P  P142  1  0.490250  0.165790  0.417448  1
  P  P143  1  0.490217  0.395887  0.491631  1
  P  P144  1  0.490486  0.780740  0.454583  1
  P  P145  1  0.755304  0.111007  0.519695  1
  P  P146  1  0.754231  0.341488  0.593954  1
  P  P147  1  0.755336  0.726342  0.556659  1
  P  P148  1  0.990645  0.013070  0.527385  1
  P  P149  1  0.989434  0.243576  0.601331  1
  P  P150  1  0.990309  0.628159  0.564333  1
  P  P151  1  0.250374  0.841488  0.593954  1
  P  P152  1  0.249269  0.226342  0.556659  1
  P  P153  1  0.249301  0.611007  0.519695  1
  P  P154  1  0.014296  0.128159  0.564333  1
  P  P155  1  0.013960  0.513070  0.527385  1
  P  P156  1  0.015171  0.743576  0.601331  1
  P  P157  1  0.249454  0.105438  0.517878  1
  P  P158  1  0.249479  0.336101  0.591888  1
  P  P159  1  0.249508  0.720635  0.554853  1
  P  P160  1  0.755097  0.220635  0.554853  1
  P  P161  1  0.755151  0.605438  0.517878  1
  P  P162  1  0.755126  0.836101  0.591888  1
  P  P163  1  0.014292  0.203406  0.510159  1
  P  P164  1  0.013659  0.433742  0.584580  1
  P  P165  1  0.014692  0.818715  0.547273  1
  P  P166  1  0.990946  0.933742  0.584580  1
  P  P167  1  0.989913  0.318715  0.547273  1
  P  P168  1  0.990313  0.703406  0.510159  1
  P  P169  1  0.256223  0.033525  0.575518  1
  P  P170  1  0.254850  0.418698  0.538263  1
  P  P171  1  0.255197  0.803526  0.501125  1
  P  P172  1  0.491136  0.935580  0.583038  1
  P  P173  1  0.490222  0.320809  0.545792  1
  P  P174  1  0.490353  0.705579  0.508778  1
  P  P175  1  0.749755  0.918698  0.538263  1
  P  P176  1  0.749408  0.303526  0.501125  1
  P  P177  1  0.748382  0.533525  0.575518  1
  P  P178  1  0.514252  0.205579  0.508778  1
  P  P179  1  0.513468  0.435580  0.583038  1
  P  P180  1  0.514382  0.820809  0.545792  1
  P  P181  1  0.749670  0.028023  0.573515  1
  P  P182  1  0.749242  0.413160  0.536388  1
  P  P183  1  0.749619  0.643635  0.610204  1
  P  P184  1  0.254986  0.143635  0.610204  1
  P  P185  1  0.254935  0.528023  0.573515  1
  P  P186  1  0.255363  0.913160  0.536388  1
  P  P187  1  0.514672  0.126104  0.565873  1
  P  P188  1  0.514193  0.510934  0.528760  1
  P  P189  1  0.514699  0.741595  0.602762  1
  P  P190  1  0.490412  0.010934  0.528760  1
  P  P191  1  0.489906  0.241595  0.602762  1
  P  P192  1  0.489933  0.626104  0.565873  1
  P  P193  1  0.754190  0.956277  0.631079  1
  P  P194  1  0.753468  0.187257  0.705178  1
  P  P195  1  0.751372  0.573271  0.667047  1
  P  P196  1  0.991088  0.858241  0.638401  1
  P  P197  1  0.998761  0.087343  0.710684  1
  P  P198  1  0.987058  0.473055  0.674276  1
  P  P199  1  0.251137  0.687257  0.705178  1
  P  P200  1  0.253233  0.073271  0.667047  1
  P  P201  1  0.250415  0.456277  0.631079  1
  P  P202  1  0.017547  0.973055  0.674276  1
  P  P203  1  0.013517  0.358241  0.638401  1
  P  P204  1  0.005844  0.587343  0.710684  1
  P  P205  1  0.252923  0.950709  0.629473  1
  P  P206  1  0.254944  0.184218  0.701488  1
  P  P207  1  0.245998  0.565255  0.666596  1
  P  P208  1  0.758607  0.065255  0.666596  1
  P  P209  1  0.751682  0.450709  0.629473  1
  P  P210  1  0.749661  0.684218  0.701488  1
  P  P211  1  0.015728  0.048912  0.621443  1
  P  P212  1  0.012057  0.279519  0.696307  1
  P  P213  1  0.012862  0.664389  0.658930  1
  P  P214  1  0.992548  0.779519  0.696307  1
  P  P215  1  0.991743  0.164389  0.658930  1
  P  P216  1  0.988877  0.548912  0.621443  1
  P  P217  1  0.254900  0.878054  0.687674  1
  P  P218  1  0.252912  0.264714  0.648998  1
  P  P219  1  0.253869  0.648891  0.612316  1
  P  P220  1  0.496779  0.777160  0.693260  1
  P  P221  1  0.491127  0.166249  0.656008  1
  P  P222  1  0.489066  0.550521  0.620154  1
  P  P223  1  0.751693  0.764714  0.648998  1
  P  P224  1  0.750736  0.148891  0.612316  1
  P  P225  1  0.749705  0.378054  0.687674  1
  P  P226  1  0.515539  0.050521  0.620154  1
  P  P227  1  0.507826  0.277160  0.693260  1
  P  P228  1  0.513478  0.666249  0.656008  1
  P  P229  1  0.749110  0.874416  0.685135  1
  P  P230  1  0.747706  0.258514  0.647746  1
  P  P231  1  0.760490  0.496902  0.719418  1
  P  P232  1  0.244115  0.996902  0.719418  1
  P  P233  1  0.255495  0.374416  0.685135  1
  P  P234  1  0.256899  0.758514  0.647746  1
  P  P235  1  0.513693  0.971541  0.679033  1
  P  P236  1  0.513394  0.355980  0.640765  1
  P  P237  1  0.510729  0.588632  0.714078  1
  P  P238  1  0.491211  0.855980  0.640765  1
  P  P239  1  0.493876  0.088632  0.714078  1
  P  P240  1  0.490912  0.471541  0.679033  1
