# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.51469792
_cell_length_b   11.68576813
_cell_length_c   49.09480098
_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   'Fe32 P128'
_cell_volume   7753.52356786
_cell_formula_units_Z   32
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  0.372442  0.157184  0.380243  1
  Fe  Fe2  1  0.128690  0.657184  0.380243  1
  Fe  Fe3  1  0.255496  0.084238  0.329966  1
  Fe  Fe4  1  0.245636  0.584238  0.329966  1
  Fe  Fe5  1  0.876952  0.328731  0.327121  1
  Fe  Fe6  1  0.624180  0.828731  0.327121  1
  Fe  Fe7  1  0.757673  0.916370  0.385800  1
  Fe  Fe8  1  0.743459  0.416370  0.385800  1
  Fe  Fe9  1  0.373010  0.817299  0.492071  1
  Fe  Fe10  1  0.128122  0.317299  0.492071  1
  Fe  Fe11  1  0.258046  0.745165  0.441666  1
  Fe  Fe12  1  0.243085  0.245165  0.441666  1
  Fe  Fe13  1  0.872695  0.987224  0.436198  1
  Fe  Fe14  1  0.628436  0.487224  0.436198  1
  Fe  Fe15  1  0.757961  0.575006  0.497222  1
  Fe  Fe16  1  0.743171  0.075006  0.497222  1
  Fe  Fe17  1  0.371798  0.477384  0.604189  1
  Fe  Fe18  1  0.129333  0.977384  0.604189  1
  Fe  Fe19  1  0.257478  0.404901  0.553383  1
  Fe  Fe20  1  0.243654  0.904901  0.553383  1
  Fe  Fe21  1  0.873078  0.647054  0.547603  1
  Fe  Fe22  1  0.628054  0.147054  0.547603  1
  Fe  Fe23  1  0.757089  0.234014  0.608942  1
  Fe  Fe24  1  0.744043  0.734014  0.608942  1
  Fe  Fe25  1  0.370341  0.143255  0.707308  1
  Fe  Fe26  1  0.130791  0.643255  0.707308  1
  Fe  Fe27  1  0.256009  0.063890  0.662067  1
  Fe  Fe28  1  0.245123  0.563890  0.662067  1
  Fe  Fe29  1  0.867016  0.312316  0.660479  1
  Fe  Fe30  1  0.634115  0.812316  0.660479  1
  Fe  Fe31  1  0.748094  0.885109  0.706924  1
  Fe  Fe32  1  0.753038  0.385109  0.706924  1
  P  P33  1  0.375354  0.165715  0.300020  1
  P  P34  1  0.125778  0.665715  0.300020  1
  P  P35  1  0.126127  0.164818  0.300464  1
  P  P36  1  0.119101  0.490856  0.354302  1
  P  P37  1  0.128116  0.996114  0.355514  1
  P  P38  1  0.002846  0.916256  0.300849  1
  P  P39  1  0.998334  0.243373  0.354715  1
  P  P40  1  0.375005  0.664818  0.300464  1
  P  P41  1  0.251210  0.416767  0.299691  1
  P  P42  1  0.998938  0.415627  0.298514  1
  P  P43  1  0.373015  0.496114  0.355514  1
  P  P44  1  0.002401  0.747393  0.354587  1
  P  P45  1  0.249922  0.916767  0.299691  1
  P  P46  1  0.382030  0.990856  0.354302  1
  P  P47  1  0.248468  0.253033  0.355873  1
  P  P48  1  0.252664  0.753033  0.355873  1
  P  P49  1  0.872790  0.997090  0.355280  1
  P  P50  1  0.628342  0.497090  0.355280  1
  P  P51  1  0.625274  0.997191  0.355824  1
  P  P52  1  0.625896  0.664638  0.298341  1
  P  P53  1  0.627625  0.162833  0.300890  1
  P  P54  1  0.502798  0.743373  0.354715  1
  P  P55  1  0.498285  0.416256  0.300849  1
  P  P56  1  0.875857  0.497191  0.355824  1
  P  P57  1  0.749728  0.244596  0.355398  1
  P  P58  1  0.498730  0.247393  0.354587  1
  P  P59  1  0.873506  0.662833  0.300890  1
  P  P60  1  0.502194  0.915627  0.298514  1
  P  P61  1  0.751404  0.744596  0.355398  1
  P  P62  1  0.875236  0.164638  0.298341  1
  P  P63  1  0.749725  0.412367  0.300287  1
  P  P64  1  0.751406  0.912367  0.300287  1
  P  P65  1  0.374029  0.826529  0.411634  1
  P  P66  1  0.127102  0.326529  0.411634  1
  P  P67  1  0.125988  0.825585  0.411670  1
  P  P68  1  0.118943  0.150784  0.466160  1
  P  P69  1  0.128786  0.656693  0.466319  1
  P  P70  1  0.004608  0.575688  0.410689  1
  P  P71  1  0.996826  0.905288  0.466521  1
  P  P72  1  0.375144  0.325585  0.411670  1
  P  P73  1  0.249875  0.074841  0.410459  1
  P  P74  1  0.998277  0.076938  0.410622  1
  P  P75  1  0.372346  0.156693  0.466319  1
  P  P76  1  0.002385  0.406790  0.466388  1
  P  P77  1  0.251257  0.574841  0.410459  1
  P  P78  1  0.382188  0.650784  0.466160  1
  P  P79  1  0.247967  0.913313  0.467772  1
  P  P80  1  0.253165  0.413313  0.467772  1
  P  P81  1  0.874533  0.656581  0.467483  1
  P  P82  1  0.626599  0.156581  0.467483  1
  P  P83  1  0.625823  0.656083  0.467373  1
  P  P84  1  0.618735  0.321447  0.410247  1
  P  P85  1  0.628018  0.827328  0.410347  1
  P  P86  1  0.504305  0.405288  0.466521  1
  P  P87  1  0.496524  0.075688  0.410689  1
  P  P88  1  0.875309  0.156083  0.467373  1
  P  P89  1  0.749706  0.904473  0.466101  1
  P  P90  1  0.498746  0.906790  0.466388  1
  P  P91  1  0.873114  0.327328  0.410347  1
  P  P92  1  0.502855  0.576938  0.410622  1
  P  P93  1  0.751426  0.404473  0.466101  1
  P  P94  1  0.882396  0.821447  0.410247  1
  P  P95  1  0.747837  0.083567  0.412086  1
  P  P96  1  0.753295  0.583567  0.412086  1
  P  P97  1  0.374513  0.486410  0.523410  1
  P  P98  1  0.126618  0.986410  0.523410  1
  P  P99  1  0.125932  0.485884  0.523215  1
  P  P100  1  0.118949  0.811116  0.577618  1
  P  P101  1  0.128243  0.317297  0.578071  1
  P  P102  1  0.004434  0.235028  0.522458  1
  P  P103  1  0.996233  0.564493  0.578109  1
  P  P104  1  0.375199  0.985884  0.523215  1
  P  P105  1  0.249945  0.734784  0.522012  1
  P  P106  1  0.998947  0.736450  0.522131  1
  P  P107  1  0.372889  0.817297  0.578071  1
  P  P108  1  0.001722  0.065897  0.578250  1
  P  P109  1  0.251187  0.234784  0.522012  1
  P  P110  1  0.382183  0.311116  0.577618  1
  P  P111  1  0.249139  0.573313  0.579191  1
  P  P112  1  0.251992  0.073313  0.579191  1
  P  P113  1  0.874964  0.316062  0.579252  1
  P  P114  1  0.626167  0.816062  0.579252  1
  P  P115  1  0.625386  0.315275  0.578880  1
  P  P116  1  0.619058  0.980412  0.521854  1
  P  P117  1  0.628585  0.486664  0.521966  1
  P  P118  1  0.504899  0.064493  0.578109  1
  P  P119  1  0.496697  0.735028  0.522458  1
  P  P120  1  0.875746  0.815275  0.578880  1
  P  P121  1  0.749802  0.565157  0.577529  1
  P  P122  1  0.499410  0.565897  0.578250  1
  P  P123  1  0.872547  0.986664  0.521966  1
  P  P124  1  0.502185  0.236450  0.522131  1
  P  P125  1  0.751329  0.065157  0.577529  1
  P  P126  1  0.882074  0.480412  0.521854  1
  P  P127  1  0.747944  0.743350  0.523477  1
  P  P128  1  0.753188  0.243350  0.523477  1
  P  P129  1  0.374302  0.145252  0.633481  1
  P  P130  1  0.126830  0.645252  0.633481  1
  P  P131  1  0.123748  0.146367  0.634767  1
  P  P132  1  0.121595  0.470276  0.690135  1
  P  P133  1  0.130433  0.978480  0.689867  1
  P  P134  1  0.004992  0.895063  0.634398  1
  P  P135  1  0.994398  0.224864  0.690164  1
  P  P136  1  0.377383  0.646367  0.634767  1
  P  P137  1  0.249794  0.392267  0.633736  1
  P  P138  1  0.998272  0.397178  0.634768  1
  P  P139  1  0.370699  0.478480  0.689867  1
  P  P140  1  0.002107  0.730837  0.690115  1
  P  P141  1  0.251338  0.892267  0.633736  1
  P  P142  1  0.379537  0.970276  0.690135  1
  P  P143  1  0.242743  0.234489  0.690540  1
  P  P144  1  0.258389  0.734489  0.690540  1
  P  P145  1  0.877083  0.974717  0.690244  1
  P  P146  1  0.624048  0.474717  0.690244  1
  P  P147  1  0.618421  0.978470  0.691525  1
  P  P148  1  0.620225  0.642561  0.633927  1
  P  P149  1  0.627357  0.147527  0.634168  1
  P  P150  1  0.506734  0.724864  0.690164  1
  P  P151  1  0.496139  0.395063  0.634398  1
  P  P152  1  0.882711  0.478470  0.691525  1
  P  P153  1  0.749021  0.213217  0.689124  1
  P  P154  1  0.499025  0.230837  0.690115  1
  P  P155  1  0.873775  0.647527  0.634168  1
  P  P156  1  0.502859  0.897178  0.634768  1
  P  P157  1  0.752111  0.713217  0.689124  1
  P  P158  1  0.880907  0.142561  0.633927  1
  P  P159  1  0.748288  0.405028  0.633730  1
  P  P160  1  0.752844  0.905028  0.633730  1
