# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.10142147
_cell_length_b   8.23839413
_cell_length_c   49.18928097
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.65251684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe36 P72'
_cell_volume   4209.64302142
_cell_formula_units_Z   36
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  0.282975  0.449202  0.299539  1
  Fe  Fe2  1  0.009221  0.321955  0.321221  1
  Fe  Fe3  1  0.549660  0.594421  0.277337  1
  Fe  Fe4  1  0.163720  0.905445  0.310293  1
  Fe  Fe5  1  0.847147  0.747940  0.335089  1
  Fe  Fe6  1  0.429310  0.010690  0.292193  1
  Fe  Fe7  1  0.421362  0.039178  0.375680  1
  Fe  Fe8  1  0.153028  0.911795  0.399610  1
  Fe  Fe9  1  0.745812  0.195534  0.345851  1
  Fe  Fe10  1  0.283490  0.474833  0.387745  1
  Fe  Fe11  1  0.012434  0.346503  0.411633  1
  Fe  Fe12  1  0.591840  0.622321  0.360320  1
  Fe  Fe13  1  0.570348  0.632938  0.451903  1
  Fe  Fe14  1  0.304751  0.507063  0.476566  1
  Fe  Fe15  1  0.886823  0.785663  0.423694  1
  Fe  Fe16  1  0.464034  0.080563  0.461635  1
  Fe  Fe17  1  0.150405  0.934598  0.491500  1
  Fe  Fe18  1  0.731110  0.210269  0.437697  1
  Fe  Fe19  1  0.722351  0.227594  0.528820  1
  Fe  Fe20  1  0.466136  0.106144  0.553684  1
  Fe  Fe21  1  0.038815  0.381110  0.500730  1
  Fe  Fe22  1  0.578916  0.661369  0.543055  1
  Fe  Fe23  1  0.310394  0.532321  0.567412  1
  Fe  Fe24  1  0.888018  0.806969  0.513398  1
  Fe  Fe25  1  0.885686  0.828594  0.605140  1
  Fe  Fe26  1  0.618020  0.701014  0.628841  1
  Fe  Fe27  1  0.150660  0.954087  0.581129  1
  Fe  Fe28  1  0.723717  0.251953  0.620358  1
  Fe  Fe29  1  0.459648  0.125309  0.645131  1
  Fe  Fe30  1  0.040468  0.400186  0.590099  1
  Fe  Fe31  1  0.031206  0.424069  0.682360  1
  Fe  Fe32  1  0.767800  0.312524  0.703775  1
  Fe  Fe33  1  0.293126  0.546218  0.658152  1
  Fe  Fe34  1  0.869279  0.841296  0.693811  1
  Fe  Fe35  1  0.601649  0.736702  0.712104  1
  Fe  Fe36  1  0.193049  0.002917  0.669389  1
  P  P37  1  0.303748  0.747028  0.306300  1
  P  P38  1  0.019690  0.622510  0.327802  1
  P  P39  1  0.581280  0.883940  0.276330  1
  P  P40  1  0.284610  0.159019  0.285677  1
  P  P41  1  0.990450  0.019570  0.311566  1
  P  P42  1  0.700971  0.891759  0.338089  1
  P  P43  1  0.097248  0.403778  0.275275  1
  P  P44  1  0.801363  0.263440  0.299845  1
  P  P45  1  0.521807  0.131730  0.330887  1
  P  P46  1  0.209814  0.368710  0.342768  1
  P  P47  1  0.774451  0.647402  0.289291  1
  P  P48  1  0.491666  0.496584  0.318698  1
  P  P49  1  0.455868  0.348706  0.382711  1
  P  P50  1  0.172391  0.209209  0.408779  1
  P  P51  1  0.744439  0.479240  0.356299  1
  P  P52  1  0.421076  0.747904  0.365789  1
  P  P53  1  0.131944  0.615945  0.389263  1
  P  P54  1  0.854231  0.481721  0.416899  1
  P  P55  1  0.228576  0.998241  0.354090  1
  P  P56  1  0.948677  0.862563  0.377885  1
  P  P57  1  0.666755  0.724701  0.405442  1
  P  P58  1  0.360962  0.964679  0.419959  1
  P  P59  1  0.931182  0.235376  0.367406  1
  P  P60  1  0.645343  0.102941  0.392808  1
  P  P61  1  0.608961  0.936694  0.459024  1
  P  P62  1  0.322918  0.809759  0.484906  1
  P  P63  1  0.889152  0.074848  0.432790  1
  P  P64  1  0.572041  0.348606  0.442402  1
  P  P65  1  0.288249  0.204124  0.468901  1
  P  P66  1  1.001490  0.078095  0.493457  1
  P  P67  1  0.378317  0.589023  0.430544  1
  P  P68  1  0.099048  0.455241  0.455780  1
  P  P69  1  0.817375  0.318183  0.482735  1
  P  P70  1  0.509200  0.560583  0.497528  1
  P  P71  1  0.080851  0.831105  0.445561  1
  P  P72  1  0.792152  0.694952  0.469954  1
  P  P73  1  0.752534  0.535381  0.535869  1
  P  P74  1  0.468680  0.392960  0.562727  1
  P  P75  1  0.038593  0.664406  0.510869  1
  P  P76  1  0.717081  0.933178  0.519952  1
  P  P77  1  0.430290  0.803636  0.545788  1
  P  P78  1  0.150754  0.669709  0.571309  1
  P  P79  1  0.529165  0.181675  0.507311  1
  P  P80  1  0.246990  0.045753  0.534949  1
  P  P81  1  0.957983  0.910464  0.559107  1
  P  P82  1  0.659491  0.149740  0.575111  1
  P  P83  1  0.228280  0.422623  0.522571  1
  P  P84  1  0.940489  0.289531  0.546919  1
  P  P85  1  0.902095  0.131757  0.613541  1
  P  P86  1  0.621198  0.986093  0.641903  1
  P  P87  1  0.186558  0.258039  0.587722  1
  P  P88  1  0.865003  0.524429  0.596399  1
  P  P89  1  0.578799  0.394757  0.622632  1
  P  P90  1  0.296184  0.261322  0.648237  1
  P  P91  1  0.678861  0.775364  0.584851  1
  P  P92  1  0.395818  0.641182  0.611850  1
  P  P93  1  0.106115  0.503960  0.636060  1
  P  P94  1  0.808876  0.746377  0.650741  1
  P  P95  1  0.371318  0.014898  0.599771  1
  P  P96  1  0.089255  0.881800  0.626634  1
  P  P97  1  0.047443  0.726890  0.691708  1
  P  P98  1  0.751834  0.589524  0.718927  1
  P  P99  1  0.335862  0.850289  0.665359  1
  P  P100  1  0.011790  0.121073  0.675014  1
  P  P101  1  0.736709  0.006457  0.703227  1
  P  P102  1  0.446926  0.843322  0.726273  1
  P  P103  1  0.827339  0.376753  0.661160  1
  P  P104  1  0.543997  0.235513  0.689791  1
  P  P105  1  0.250676  0.088941  0.713603  1
  P  P106  1  0.948953  0.357644  0.729450  1
  P  P107  1  0.515928  0.602770  0.674001  1
  P  P108  1  0.234425  0.475346  0.703489  1
