# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87246062
_cell_length_b   18.47800133
_cell_length_c   47.60957440
_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   5166.17848182
_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  0.701894  0.023977  0.336365  1
  Fe  Fe2  1  0.723773  0.731402  0.297330  1
  Fe  Fe3  1  0.721107  0.376955  0.315188  1
  Fe  Fe4  1  0.300997  0.703576  0.326344  1
  Fe  Fe5  1  0.300019  0.417911  0.287774  1
  Fe  Fe6  1  0.294052  0.058146  0.308000  1
  Fe  Fe7  1  0.206072  0.917911  0.287774  1
  Fe  Fe8  1  0.212040  0.558146  0.308000  1
  Fe  Fe9  1  0.205094  0.203576  0.326344  1
  Fe  Fe10  1  0.784984  0.876955  0.315188  1
  Fe  Fe11  1  0.804197  0.523977  0.336365  1
  Fe  Fe12  1  0.782318  0.231402  0.297330  1
  Fe  Fe13  1  0.709816  0.966768  0.397343  1
  Fe  Fe14  1  0.704017  0.673345  0.352264  1
  Fe  Fe15  1  0.708689  0.319094  0.376216  1
  Fe  Fe16  1  0.296635  0.648597  0.387225  1
  Fe  Fe17  1  0.288028  0.353782  0.345075  1
  Fe  Fe18  1  0.293070  1.000844  0.367112  1
  Fe  Fe19  1  0.218063  0.853782  0.345075  1
  Fe  Fe20  1  0.213021  0.500844  0.367112  1
  Fe  Fe21  1  0.209457  0.148597  0.387225  1
  Fe  Fe22  1  0.797403  0.819094  0.376216  1
  Fe  Fe23  1  0.796275  0.466768  0.397343  1
  Fe  Fe24  1  0.802075  0.173345  0.352264  1
  Fe  Fe25  1  0.710006  0.909038  0.459330  1
  Fe  Fe26  1  0.713270  0.612949  0.419893  1
  Fe  Fe27  1  0.711232  0.261557  0.438720  1
  Fe  Fe28  1  0.295729  0.590774  0.450315  1
  Fe  Fe29  1  0.295893  0.295602  0.408181  1
  Fe  Fe30  1  0.294702  0.943380  0.428934  1
  Fe  Fe31  1  0.210199  0.795602  0.408181  1
  Fe  Fe32  1  0.211389  0.443380  0.428934  1
  Fe  Fe33  1  0.210363  0.090774  0.450315  1
  Fe  Fe34  1  0.794860  0.761557  0.438720  1
  Fe  Fe35  1  0.796085  0.409038  0.459330  1
  Fe  Fe36  1  0.792821  0.112949  0.419893  1
  Fe  Fe37  1  0.711737  0.851346  0.522290  1
  Fe  Fe38  1  0.711268  0.556653  0.480425  1
  Fe  Fe39  1  0.711807  0.204267  0.501344  1
  Fe  Fe40  1  0.294824  0.533273  0.512333  1
  Fe  Fe41  1  0.294354  0.238580  0.470468  1
  Fe  Fe42  1  0.294285  0.885659  0.491414  1
  Fe  Fe43  1  0.211737  0.738580  0.470468  1
  Fe  Fe44  1  0.211807  0.385659  0.491414  1
  Fe  Fe45  1  0.211268  0.033273  0.512333  1
  Fe  Fe46  1  0.794285  0.704267  0.501344  1
  Fe  Fe47  1  0.794354  0.351346  0.522290  1
  Fe  Fe48  1  0.794824  0.056653  0.480425  1
  Fe  Fe49  1  0.710199  0.794324  0.584577  1
  Fe  Fe50  1  0.710363  0.499152  0.542443  1
  Fe  Fe51  1  0.711389  0.146546  0.563824  1
  Fe  Fe52  1  0.292821  0.476977  0.572865  1
  Fe  Fe53  1  0.296085  0.180887  0.533428  1
  Fe  Fe54  1  0.294860  0.828369  0.554038  1
  Fe  Fe55  1  0.210006  0.680887  0.533428  1
  Fe  Fe56  1  0.211232  0.328369  0.554038  1
  Fe  Fe57  1  0.213270  0.976977  0.572865  1
  Fe  Fe58  1  0.794702  0.646546  0.563824  1
  Fe  Fe59  1  0.795893  0.294324  0.584577  1
  Fe  Fe60  1  0.795729  0.999152  0.542443  1
  Fe  Fe61  1  0.718063  0.736144  0.647683  1
  Fe  Fe62  1  0.709457  0.441329  0.605533  1
  Fe  Fe63  1  0.713021  0.089082  0.625646  1
  Fe  Fe64  1  0.302075  0.416581  0.640494  1
  Fe  Fe65  1  0.296275  0.123158  0.595415  1
  Fe  Fe66  1  0.297403  0.770832  0.616542  1
  Fe  Fe67  1  0.209816  0.623158  0.595415  1
  Fe  Fe68  1  0.208689  0.270832  0.616542  1
  Fe  Fe69  1  0.204017  0.916581  0.640494  1
  Fe  Fe70  1  0.793070  0.589082  0.625646  1
  Fe  Fe71  1  0.788028  0.236144  0.647683  1
  Fe  Fe72  1  0.796635  0.941329  0.605533  1
  Fe  Fe73  1  0.706072  0.672015  0.704984  1
  Fe  Fe74  1  0.705094  0.386350  0.666414  1
  Fe  Fe75  1  0.712040  0.031780  0.684758  1
  Fe  Fe76  1  0.282318  0.358524  0.695429  1
  Fe  Fe77  1  0.304197  0.065949  0.656393  1
  Fe  Fe78  1  0.284984  0.712971  0.677570  1
  Fe  Fe79  1  0.201894  0.565949  0.656393  1
  Fe  Fe80  1  0.221107  0.212971  0.677570  1
  Fe  Fe81  1  0.223773  0.858524  0.695429  1
  Fe  Fe82  1  0.794052  0.531780  0.684758  1
  Fe  Fe83  1  0.800019  0.172015  0.704984  1
  Fe  Fe84  1  0.800997  0.886350  0.666414  1
  P  P85  1  0.069277  0.962608  0.326444  1
  P  P86  1  0.084457  0.667103  0.281376  1
  P  P87  1  0.090789  0.312176  0.299541  1
  P  P88  1  0.932686  0.774350  0.333176  1
  P  P89  1  0.926961  0.482462  0.289108  1
  P  P90  1  0.923604  0.120832  0.308150  1
  P  P91  1  0.579130  0.982462  0.289108  1
  P  P92  1  0.582487  0.620832  0.308150  1
  P  P93  1  0.573406  0.274350  0.333176  1
  P  P94  1  0.415303  0.812176  0.299541  1
  P  P95  1  0.436815  0.462608  0.326444  1
  P  P96  1  0.421634  0.167103  0.281376  1
  P  P97  1  0.078747  0.901417  0.387735  1
  P  P98  1  0.075868  0.608621  0.346565  1
  P  P99  1  0.078859  0.254775  0.366565  1
  P  P100  1  0.922606  0.714070  0.396120  1
  P  P101  1  0.929606  0.418041  0.354510  1
  P  P102  1  0.922040  0.069305  0.376004  1
  P  P103  1  0.576486  0.918041  0.354510  1
  P  P104  1  0.584051  0.569305  0.376004  1
  P  P105  1  0.583485  0.214070  0.396120  1
  P  P106  1  0.427233  0.754775  0.366565  1
  P  P107  1  0.427345  0.401417  0.387735  1
  P  P108  1  0.430223  0.108621  0.346565  1
  P  P109  1  0.079489  0.843216  0.450149  1
  P  P110  1  0.082203  0.548991  0.408847  1
  P  P111  1  0.079813  0.195854  0.429071  1
  P  P112  1  0.927814  0.657066  0.459394  1
  P  P113  1  0.927057  0.361428  0.417312  1
  P  P114  1  0.926500  0.008343  0.438422  1
  P  P115  1  0.579034  0.861428  0.417312  1
  P  P116  1  0.579591  0.508343  0.438422  1
  P  P117  1  0.578277  0.157066  0.459394  1
  P  P118  1  0.426279  0.695854  0.429071  1
  P  P119  1  0.426603  0.343216  0.450149  1
  P  P120  1  0.423888  0.048991  0.408847  1
  P  P121  1  0.079804  0.785898  0.512808  1
  P  P122  1  0.080561  0.490765  0.471193  1
  P  P123  1  0.080506  0.138853  0.492067  1
  P  P124  1  0.925531  0.599161  0.521565  1
  P  P125  1  0.926288  0.304028  0.479950  1
  P  P126  1  0.925586  0.951073  0.500691  1
  P  P127  1  0.579804  0.804028  0.479950  1
  P  P128  1  0.580506  0.451073  0.500691  1
  P  P129  1  0.580561  0.099161  0.521565  1
  P  P130  1  0.425586  0.638853  0.492067  1
  P  P131  1  0.426288  0.285898  0.512808  1
  P  P132  1  0.425531  0.990765  0.471193  1
  P  P133  1  0.079034  0.728498  0.575446  1
  P  P134  1  0.078277  0.432860  0.533364  1
  P  P135  1  0.079591  0.081583  0.554336  1
  P  P136  1  0.923888  0.540935  0.583911  1
  P  P137  1  0.926603  0.246710  0.542609  1
  P  P138  1  0.926279  0.894072  0.563688  1
  P  P139  1  0.579489  0.746710  0.542609  1
  P  P140  1  0.579813  0.394072  0.563688  1
  P  P141  1  0.582203  0.040935  0.583911  1
  P  P142  1  0.426500  0.581583  0.554336  1
  P  P143  1  0.427057  0.228498  0.575446  1
  P  P144  1  0.427814  0.932860  0.533364  1
  P  P145  1  0.076486  0.671885  0.638248  1
  P  P146  1  0.083485  0.375856  0.596638  1
  P  P147  1  0.084051  0.020621  0.616754  1
  P  P148  1  0.930223  0.481305  0.646193  1
  P  P149  1  0.927345  0.188509  0.605023  1
  P  P150  1  0.927233  0.835151  0.626193  1
  P  P151  1  0.578747  0.688509  0.605023  1
  P  P152  1  0.578859  0.335151  0.626193  1
  P  P153  1  0.575868  0.981305  0.646193  1
  P  P154  1  0.422040  0.520621  0.616754  1
  P  P155  1  0.429606  0.171885  0.638248  1
  P  P156  1  0.422606  0.875856  0.596638  1
  P  P157  1  0.079130  0.607464  0.703650  1
  P  P158  1  0.073406  0.315576  0.659582  1
  P  P159  1  0.082487  0.969094  0.684608  1
  P  P160  1  0.921634  0.422823  0.711382  1
  P  P161  1  0.936815  0.127318  0.666314  1
  P  P162  1  0.915303  0.777750  0.693217  1
  P  P163  1  0.569277  0.627318  0.666314  1
  P  P164  1  0.590789  0.277750  0.693217  1
  P  P165  1  0.584457  0.922823  0.711382  1
  P  P166  1  0.423604  0.469094  0.684608  1
  P  P167  1  0.426961  0.107464  0.703650  1
  P  P168  1  0.432686  0.815576  0.659582  1
