# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87533348
_cell_length_b   17.64603572
_cell_length_c   49.77266456
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe84 P84'
_cell_volume   5160.24791376
_cell_formula_units_Z   84
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  0.704874  0.496852  0.336161  1
  Fe  Fe2  1  0.716641  0.174752  0.315406  1
  Fe  Fe3  1  0.722692  0.852435  0.297024  1
  Fe  Fe4  1  0.296050  0.202017  0.287401  1
  Fe  Fe5  1  0.295408  0.842248  0.326714  1
  Fe  Fe6  1  0.295115  0.518975  0.307471  1
  Fe  Fe7  1  0.219505  0.359564  0.297590  1
  Fe  Fe8  1  0.211451  1.002339  0.337053  1
  Fe  Fe9  1  0.203587  0.679799  0.315798  1
  Fe  Fe10  1  0.798147  0.336782  0.326632  1
  Fe  Fe11  1  0.779224  0.012307  0.307366  1
  Fe  Fe12  1  0.787942  0.695369  0.287042  1
  Fe  Fe13  1  0.711972  0.466851  0.398016  1
  Fe  Fe14  1  0.707807  0.143483  0.376429  1
  Fe  Fe15  1  0.710501  0.820748  0.355692  1
  Fe  Fe16  1  0.288029  0.164752  0.344679  1
  Fe  Fe17  1  0.295371  0.810156  0.387596  1
  Fe  Fe18  1  0.291830  0.488136  0.366874  1
  Fe  Fe19  1  0.209440  0.326197  0.356655  1
  Fe  Fe20  1  0.209938  0.972204  0.397880  1
  Fe  Fe21  1  0.210532  0.648915  0.376747  1
  Fe  Fe22  1  0.795133  0.304837  0.387212  1
  Fe  Fe23  1  0.795018  0.982322  0.366196  1
  Fe  Fe24  1  0.801541  0.659321  0.342249  1
  Fe  Fe25  1  0.710760  0.434760  0.460063  1
  Fe  Fe26  1  0.710561  0.112032  0.439059  1
  Fe  Fe27  1  0.710769  0.788826  0.418466  1
  Fe  Fe28  1  0.293800  0.133572  0.408360  1
  Fe  Fe29  1  0.293864  0.779599  0.449462  1
  Fe  Fe30  1  0.295464  0.456569  0.429411  1
  Fe  Fe31  1  0.210822  0.295221  0.418441  1
  Fe  Fe32  1  0.210989  0.940884  0.460017  1
  Fe  Fe33  1  0.210453  0.617979  0.439884  1
  Fe  Fe34  1  0.794733  0.273447  0.449508  1
  Fe  Fe35  1  0.794133  0.950686  0.428573  1
  Fe  Fe36  1  0.793729  0.627003  0.409889  1
  Fe  Fe37  1  0.711109  0.403336  0.522700  1
  Fe  Fe38  1  0.711136  0.080651  0.501445  1
  Fe  Fe39  1  0.710893  0.757847  0.480467  1
  Fe  Fe40  1  0.294491  0.102324  0.470455  1
  Fe  Fe41  1  0.294707  0.747813  0.512688  1
  Fe  Fe42  1  0.294464  0.425009  0.491710  1
  Fe  Fe43  1  0.211059  0.263660  0.481162  1
  Fe  Fe44  1  0.210782  0.909337  0.522643  1
  Fe  Fe45  1  0.211055  0.586491  0.502225  1
  Fe  Fe46  1  0.794540  0.242000  0.511993  1
  Fe  Fe47  1  0.794545  0.919169  0.490930  1
  Fe  Fe48  1  0.794817  0.596323  0.470513  1
  Fe  Fe49  1  0.711799  0.372088  0.584796  1
  Fe  Fe50  1  0.710136  0.049091  0.563745  1
  Fe  Fe51  1  0.711735  0.726061  0.543694  1
  Fe  Fe52  1  0.294840  0.070900  0.533092  1
  Fe  Fe53  1  0.294831  0.716834  0.574690  1
  Fe  Fe54  1  0.295038  0.393628  0.554097  1
  Fe  Fe55  1  0.210867  0.232213  0.543648  1
  Fe  Fe56  1  0.211871  0.878658  0.583267  1
  Fe  Fe57  1  0.211467  0.554974  0.564583  1
  Fe  Fe58  1  0.794777  0.210440  0.574714  1
  Fe  Fe59  1  0.795146  0.887681  0.553271  1
  Fe  Fe60  1  0.794611  0.564776  0.533138  1
  Fe  Fe61  1  0.717570  0.340908  0.648477  1
  Fe  Fe62  1  0.713770  0.017524  0.626282  1
  Fe  Fe63  1  0.710229  0.695504  0.605559  1
  Fe  Fe64  1  0.293628  0.038809  0.595139  1
  Fe  Fe65  1  0.295099  0.684912  0.637463  1
  Fe  Fe66  1  0.297792  0.362177  0.616726  1
  Fe  Fe67  1  0.210466  0.200823  0.605943  1
  Fe  Fe68  1  0.204059  0.846339  0.650907  1
  Fe  Fe69  1  0.210582  0.523338  0.626959  1
  Fe  Fe70  1  0.796160  0.179463  0.636500  1
  Fe  Fe71  1  0.795067  0.856745  0.616409  1
  Fe  Fe72  1  0.795662  0.533456  0.595275  1
  Fe  Fe73  1  0.709550  0.303643  0.705754  1
  Fe  Fe74  1  0.710485  0.986686  0.685684  1
  Fe  Fe75  1  0.710191  0.663412  0.666442  1
  Fe  Fe76  1  0.300726  0.008808  0.656995  1
  Fe  Fe77  1  0.282908  0.653225  0.696131  1
  Fe  Fe78  1  0.288959  0.330908  0.677750  1
  Fe  Fe79  1  0.207453  0.168878  0.666523  1
  Fe  Fe80  1  0.217658  0.810291  0.706113  1
  Fe  Fe81  1  0.226375  0.493353  0.685790  1
  Fe  Fe82  1  0.786095  0.146096  0.695565  1
  Fe  Fe83  1  0.802013  0.825861  0.677357  1
  Fe  Fe84  1  0.794149  0.503321  0.656102  1
  P  P85  1  0.073956  0.428235  0.330238  1
  P  P86  1  0.084241  0.100081  0.304939  1
  P  P87  1  0.090926  0.783090  0.284690  1
  P  P88  1  0.924300  0.272664  0.284872  1
  P  P89  1  0.931666  0.913782  0.328497  1
  P  P90  1  0.924612  0.585657  0.304061  1
  P  P91  1  0.586834  0.433138  0.294238  1
  P  P92  1  0.575531  0.076082  0.338762  1
  P  P93  1  0.570219  0.753876  0.318025  1
  P  P94  1  0.435644  0.270071  0.320024  1
  P  P95  1  0.417460  0.942883  0.295226  1
  P  P96  1  0.422421  0.620754  0.275990  1
  P  P97  1  0.080204  0.395246  0.392883  1
  P  P98  1  0.078595  0.072678  0.371453  1
  P  P99  1  0.078199  0.749136  0.351124  1
  P  P100  1  0.928510  0.235329  0.349863  1
  P  P101  1  0.924728  0.882572  0.391814  1
  P  P102  1  0.922687  0.562136  0.370933  1
  P  P103  1  0.579101  0.399368  0.361190  1
  P  P104  1  0.579453  0.044798  0.402006  1
  P  P105  1  0.584389  0.720417  0.381230  1
  P  P106  1  0.425384  0.232689  0.382126  1
  P  P107  1  0.427620  0.910816  0.361593  1
  P  P108  1  0.430229  0.589123  0.340721  1
  P  P109  1  0.079875  0.362677  0.455357  1
  P  P110  1  0.078959  0.040186  0.434163  1
  P  P111  1  0.079668  0.716685  0.413345  1
  P  P112  1  0.925382  0.205694  0.412709  1
  P  P113  1  0.926206  0.851313  0.454355  1
  P  P114  1  0.927361  0.527798  0.433997  1
  P  P115  1  0.579544  0.366870  0.423336  1
  P  P116  1  0.579445  0.012759  0.464717  1
  P  P117  1  0.577556  0.690153  0.444347  1
  P  P118  1  0.425776  0.201759  0.444781  1
  P  P119  1  0.425999  0.878835  0.423789  1
  P  P120  1  0.424657  0.556065  0.403395  1
  P  P121  1  0.079676  0.331433  0.517882  1
  P  P122  1  0.079995  0.008696  0.496718  1
  P  P123  1  0.080245  0.686054  0.476322  1
  P  P124  1  0.925924  0.174227  0.475273  1
  P  P125  1  0.925355  0.819606  0.516834  1
  P  P126  1  0.925605  0.496964  0.496437  1
  P  P127  1  0.579887  0.335634  0.485888  1
  P  P128  1  0.579634  0.981353  0.527143  1
  P  P129  1  0.580375  0.658593  0.506732  1
  P  P130  1  0.425713  0.170026  0.507267  1
  P  P131  1  0.425224  0.847067  0.486423  1
  P  P132  1  0.425966  0.524307  0.466013  1
  P  P133  1  0.080217  0.299966  0.580446  1
  P  P134  1  0.078238  0.977862  0.559158  1
  P  P135  1  0.079394  0.654347  0.538801  1
  P  P136  1  0.925724  0.142983  0.537798  1
  P  P137  1  0.925931  0.788975  0.579811  1
  P  P138  1  0.926641  0.465474  0.558993  1
  P  P139  1  0.579824  0.303901  0.548375  1
  P  P140  1  0.580942  0.949595  0.589760  1
  P  P141  1  0.579600  0.626826  0.569366  1
  P  P142  1  0.426055  0.138790  0.569820  1
  P  P143  1  0.428043  0.815507  0.548808  1
  P  P144  1  0.426155  0.492902  0.528438  1
  P  P145  1  0.077090  0.270331  0.643292  1
  P  P146  1  0.082913  0.943524  0.622223  1
  P  P147  1  0.080871  0.623088  0.601342  1
  P  P148  1  0.925396  0.110414  0.600272  1
  P  P149  1  0.927400  0.756524  0.642031  1
  P  P150  1  0.927005  0.432982  0.621702  1
  P  P151  1  0.580216  0.272971  0.611029  1
  P  P152  1  0.575370  0.916537  0.652435  1
  P  P153  1  0.577979  0.594844  0.631563  1
  P  P154  1  0.426499  0.106292  0.631966  1
  P  P155  1  0.421211  0.785243  0.611925  1
  P  P156  1  0.426147  0.460862  0.591149  1
  P  P157  1  0.081299  0.232996  0.708284  1
  P  P158  1  0.080988  0.920003  0.689094  1
  P  P159  1  0.073933  0.591878  0.664659  1
  P  P160  1  0.931644  0.077425  0.662917  1
  P  P161  1  0.914674  0.722570  0.708466  1
  P  P162  1  0.921359  0.405579  0.688216  1
  P  P163  1  0.569956  0.235589  0.673132  1
  P  P164  1  0.583179  0.884906  0.717165  1
  P  P165  1  0.588139  0.562777  0.697929  1
  P  P166  1  0.418765  0.072522  0.698917  1
  P  P167  1  0.435381  0.751784  0.675131  1
  P  P168  1  0.430068  0.429578  0.654393  1
