# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87819145
_cell_length_b   14.98265345
_cell_length_c   48.97296186
_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   'Fe72 P72'
_cell_volume   4313.09308898
_cell_formula_units_Z   72
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  0.731413  0.245207  0.291271  1
  Fe  Fe2  1  0.702135  0.674558  0.312184  1
  Fe  Fe3  1  0.295026  0.742616  0.290588  1
  Fe  Fe4  1  0.310276  0.175340  0.314494  1
  Fe  Fe5  1  0.216366  0.026259  0.278691  1
  Fe  Fe6  1  0.203948  0.461148  0.302413  1
  Fe  Fe7  1  0.794995  0.957852  0.300662  1
  Fe  Fe8  1  0.788006  0.388494  0.323858  1
  Fe  Fe9  1  0.703289  0.110126  0.335833  1
  Fe  Fe10  1  0.699592  0.544507  0.358651  1
  Fe  Fe11  1  0.287645  0.614130  0.335625  1
  Fe  Fe12  1  0.297342  0.048377  0.362134  1
  Fe  Fe13  1  0.211534  0.897871  0.323677  1
  Fe  Fe14  1  0.215338  0.336142  0.347184  1
  Fe  Fe15  1  0.800459  0.827688  0.347000  1
  Fe  Fe16  1  0.798710  0.260600  0.373280  1
  Fe  Fe17  1  0.711970  0.976932  0.385286  1
  Fe  Fe18  1  0.710128  0.410310  0.410134  1
  Fe  Fe19  1  0.293837  0.483380  0.385644  1
  Fe  Fe20  1  0.295071  0.916161  0.411691  1
  Fe  Fe21  1  0.207862  0.765606  0.374022  1
  Fe  Fe22  1  0.211877  0.195805  0.400963  1
  Fe  Fe23  1  0.793772  0.692951  0.397576  1
  Fe  Fe24  1  0.795105  0.127093  0.423191  1
  Fe  Fe25  1  0.710845  0.843532  0.435448  1
  Fe  Fe26  1  0.710070  0.278533  0.460451  1
  Fe  Fe27  1  0.293911  0.350162  0.436741  1
  Fe  Fe28  1  0.294653  0.784002  0.461645  1
  Fe  Fe29  1  0.209213  0.633385  0.423788  1
  Fe  Fe30  1  0.211156  0.066776  0.449360  1
  Fe  Fe31  1  0.793791  0.561523  0.447538  1
  Fe  Fe32  1  0.794667  0.994903  0.472839  1
  Fe  Fe33  1  0.710574  0.712334  0.485231  1
  Fe  Fe34  1  0.710301  0.146412  0.510118  1
  Fe  Fe35  1  0.294810  0.218145  0.486756  1
  Fe  Fe36  1  0.294536  0.652223  0.511643  1
  Fe  Fe37  1  0.210556  0.501631  0.473899  1
  Fe  Fe38  1  0.210731  0.934739  0.499243  1
  Fe  Fe39  1  0.794380  0.429819  0.497631  1
  Fe  Fe40  1  0.794555  0.862926  0.522975  1
  Fe  Fe41  1  0.710457  0.580555  0.535229  1
  Fe  Fe42  1  0.711199  0.014395  0.560133  1
  Fe  Fe43  1  0.295040  0.086025  0.536423  1
  Fe  Fe44  1  0.294266  0.521026  0.561426  1
  Fe  Fe45  1  0.210443  0.369654  0.524035  1
  Fe  Fe46  1  0.211320  0.803035  0.549336  1
  Fe  Fe47  1  0.793954  0.297781  0.547514  1
  Fe  Fe48  1  0.795898  0.731173  0.573086  1
  Fe  Fe49  1  0.710040  0.448397  0.585183  1
  Fe  Fe50  1  0.711274  0.881178  0.611230  1
  Fe  Fe51  1  0.294982  0.954247  0.586740  1
  Fe  Fe52  1  0.293140  0.387625  0.611588  1
  Fe  Fe53  1  0.210006  0.237464  0.573683  1
  Fe  Fe54  1  0.211339  0.671606  0.599298  1
  Fe  Fe55  1  0.793234  0.168752  0.595911  1
  Fe  Fe56  1  0.797249  0.598952  0.622852  1
  Fe  Fe57  1  0.707768  0.316181  0.634740  1
  Fe  Fe58  1  0.717466  0.750427  0.661249  1
  Fe  Fe59  1  0.305519  0.820050  0.638223  1
  Fe  Fe60  1  0.301822  0.254432  0.661041  1
  Fe  Fe61  1  0.206401  0.103957  0.623594  1
  Fe  Fe62  1  0.204652  0.536870  0.649874  1
  Fe  Fe63  1  0.789772  0.028416  0.649690  1
  Fe  Fe64  1  0.793577  0.466686  0.673197  1
  Fe  Fe65  1  0.694835  0.189217  0.682380  1
  Fe  Fe66  1  0.710084  0.621941  0.706286  1
  Fe  Fe67  1  0.302976  0.690000  0.684690  1
  Fe  Fe68  1  0.273698  0.119350  0.705602  1
  Fe  Fe69  1  0.217105  0.976064  0.673016  1
  Fe  Fe70  1  0.210115  0.406705  0.696212  1
  Fe  Fe71  1  0.801163  0.903410  0.694460  1
  Fe  Fe72  1  0.788744  0.338298  0.718183  1
  P  P73  1  0.077772  0.047127  0.319426  1
  P  P74  1  0.071324  0.609211  0.289891  1
  P  P75  1  0.921427  0.814222  0.299322  1
  P  P76  1  0.912269  0.390375  0.276091  1
  P  P77  1  0.590423  0.101956  0.286504  1
  P  P78  1  0.575320  0.530740  0.311482  1
  P  P79  1  0.427271  0.892743  0.278107  1
  P  P80  1  0.410198  0.324112  0.301660  1
  P  P81  1  0.080565  0.910637  0.368636  1
  P  P82  1  0.068837  0.480128  0.343853  1
  P  P83  1  0.924065  0.683460  0.352470  1
  P  P84  1  0.936164  0.248007  0.328985  1
  P  P85  1  0.579823  0.966013  0.340445  1
  P  P86  1  0.576433  0.399793  0.364673  1
  P  P87  1  0.425535  0.763424  0.332131  1
  P  P88  1  0.427764  0.196243  0.357355  1
  P  P89  1  0.079667  0.777460  0.418419  1
  P  P90  1  0.081727  0.343571  0.393326  1
  P  P91  1  0.922264  0.549689  0.402850  1
  P  P92  1  0.926616  0.116592  0.378837  1
  P  P93  1  0.581516  0.833119  0.390846  1
  P  P94  1  0.580259  0.267508  0.416084  1
  P  P95  1  0.423669  0.627166  0.380804  1
  P  P96  1  0.427715  0.059816  0.406395  1
  P  P97  1  0.079411  0.645451  0.468421  1
  P  P98  1  0.078809  0.211746  0.444107  1
  P  P99  1  0.925520  0.417727  0.453190  1
  P  P100  1  0.925665  0.982501  0.428507  1
  P  P101  1  0.578772  0.699988  0.440688  1
  P  P102  1  0.580040  0.134094  0.465949  1
  P  P103  1  0.424096  0.494349  0.430592  1
  P  P104  1  0.425655  0.927988  0.456140  1
  P  P105  1  0.079248  0.513783  0.518434  1
  P  P106  1  0.079835  0.078800  0.493569  1
  P  P107  1  0.925276  0.285757  0.503304  1
  P  P108  1  0.925863  0.850775  0.478440  1
  P  P109  1  0.579327  0.568365  0.490650  1
  P  P110  1  0.579702  0.001685  0.515827  1
  P  P111  1  0.425408  0.362872  0.481047  1
  P  P112  1  0.425784  0.796193  0.506224  1
  P  P113  1  0.079446  0.382057  0.568367  1
  P  P114  1  0.079591  0.946830  0.543684  1
  P  P115  1  0.926302  0.152812  0.552767  1
  P  P116  1  0.925699  0.719106  0.528453  1
  P  P117  1  0.579456  0.436569  0.540734  1
  P  P118  1  0.581015  0.870209  0.566282  1
  P  P119  1  0.425070  0.230464  0.530925  1
  P  P120  1  0.426339  0.664570  0.556186  1
  P  P121  1  0.078495  0.247966  0.618037  1
  P  P122  1  0.082846  0.814868  0.594024  1
  P  P123  1  0.923384  0.020986  0.603548  1
  P  P124  1  0.925443  0.587097  0.578455  1
  P  P125  1  0.577396  0.304741  0.590479  1
  P  P126  1  0.581442  0.737391  0.616070  1
  P  P127  1  0.424851  0.097049  0.580790  1
  P  P128  1  0.423595  0.531438  0.606028  1
  P  P129  1  0.068947  0.116551  0.667888  1
  P  P130  1  0.081046  0.681098  0.644404  1
  P  P131  1  0.936274  0.884429  0.653021  1
  P  P132  1  0.924546  0.453921  0.628238  1
  P  P133  1  0.577347  0.168315  0.639518  1
  P  P134  1  0.579576  0.601133  0.664743  1
  P  P135  1  0.428678  0.964765  0.632201  1
  P  P136  1  0.425288  0.398544  0.656429  1
  P  P137  1  0.092842  0.974182  0.720783  1
  P  P138  1  0.083684  0.550335  0.697552  1
  P  P139  1  0.933787  0.755347  0.706983  1
  P  P140  1  0.927338  0.317430  0.677448  1
  P  P141  1  0.594913  0.040445  0.695214  1
  P  P142  1  0.577839  0.471815  0.718767  1
  P  P143  1  0.429790  0.833817  0.685392  1
  P  P144  1  0.414688  0.262601  0.710370  1
