# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76227638
_cell_length_b   9.42859963
_cell_length_c   54.19752650
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.96555913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe16 P64'
_cell_volume   3455.07839395
_cell_formula_units_Z   16
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  0.519160  0.676900  0.406163  1
  Fe  Fe2  1  0.019232  0.176926  0.467301  1
  Fe  Fe3  1  0.747609  0.902803  0.434903  1
  Fe  Fe4  1  0.247353  0.402880  0.438586  1
  Fe  Fe5  1  0.019383  0.676793  0.282562  1
  Fe  Fe6  1  0.520140  0.176653  0.342038  1
  Fe  Fe7  1  0.245277  0.900329  0.310261  1
  Fe  Fe8  1  0.747755  0.406584  0.313945  1
  Fe  Fe9  1  0.520140  0.676653  0.656531  1
  Fe  Fe10  1  0.019383  0.176793  0.716007  1
  Fe  Fe11  1  0.747755  0.906584  0.684623  1
  Fe  Fe12  1  0.245277  0.400329  0.688307  1
  Fe  Fe13  1  0.019232  0.676926  0.531268  1
  Fe  Fe14  1  0.519160  0.176900  0.592406  1
  Fe  Fe15  1  0.247353  0.902880  0.559983  1
  Fe  Fe16  1  0.747609  0.402803  0.563666  1
  P  P17  1  0.004459  0.912721  0.405735  1
  P  P18  1  0.504476  0.412620  0.467719  1
  P  P19  1  0.005157  0.913062  0.467950  1
  P  P20  1  0.007026  0.422739  0.469621  1
  P  P21  1  0.513188  0.916015  0.467226  1
  P  P22  1  0.759075  0.166627  0.498347  1
  P  P23  1  0.766528  0.661420  0.250808  1
  P  P24  1  0.505042  0.413020  0.405550  1
  P  P25  1  0.260429  0.668731  0.436942  1
  P  P26  1  0.258667  0.664047  0.250282  1
  P  P27  1  0.013221  0.415880  0.406218  1
  P  P28  1  0.261277  0.165637  0.498807  1
  P  P29  1  0.760478  0.168731  0.436534  1
  P  P30  1  0.507112  0.922738  0.403892  1
  P  P31  1  0.760033  0.654535  0.437317  1
  P  P32  1  0.259917  0.154571  0.436137  1
  P  P33  1  0.505336  0.911113  0.280920  1
  P  P34  1  0.004846  0.412146  0.342497  1
  P  P35  1  0.504176  0.912994  0.342979  1
  P  P36  1  0.506960  0.422335  0.344662  1
  P  P37  1  0.011986  0.916906  0.342012  1
  P  P38  1  0.259167  0.166410  0.373179  1
  P  P39  1  0.258673  0.666772  0.375143  1
  P  P40  1  0.002562  0.410995  0.280249  1
  P  P41  1  0.759410  0.670426  0.311993  1
  P  P42  1  0.761341  0.665561  0.374671  1
  P  P43  1  0.512342  0.414675  0.281588  1
  P  P44  1  0.761181  0.165683  0.373690  1
  P  P45  1  0.261275  0.167296  0.311274  1
  P  P46  1  0.012119  0.927164  0.277263  1
  P  P47  1  0.259634  0.653463  0.312412  1
  P  P48  1  0.760518  0.154174  0.310863  1
  P  P49  1  0.004846  0.912146  0.656072  1
  P  P50  1  0.505336  0.411113  0.717649  1
  P  P51  1  0.002562  0.910995  0.718320  1
  P  P52  1  0.012119  0.427164  0.721306  1
  P  P53  1  0.512342  0.914675  0.716981  1
  P  P54  1  0.766528  0.161420  0.747761  1
  P  P55  1  0.759075  0.666627  0.500222  1
  P  P56  1  0.504176  0.412994  0.655590  1
  P  P57  1  0.261275  0.667296  0.687295  1
  P  P58  1  0.261277  0.665637  0.499762  1
  P  P59  1  0.011986  0.416906  0.656557  1
  P  P60  1  0.258667  0.164047  0.748287  1
  P  P61  1  0.759410  0.170426  0.686576  1
  P  P62  1  0.506960  0.922335  0.653906  1
  P  P63  1  0.760518  0.654174  0.687706  1
  P  P64  1  0.259634  0.153463  0.686157  1
  P  P65  1  0.504476  0.912620  0.530850  1
  P  P66  1  0.004459  0.412721  0.592834  1
  P  P67  1  0.505042  0.913020  0.593019  1
  P  P68  1  0.507112  0.422738  0.594677  1
  P  P69  1  0.013221  0.915880  0.592350  1
  P  P70  1  0.258673  0.166772  0.623426  1
  P  P71  1  0.259167  0.666410  0.625389  1
  P  P72  1  0.005157  0.413062  0.530619  1
  P  P73  1  0.760478  0.668731  0.562035  1
  P  P74  1  0.761181  0.665683  0.624879  1
  P  P75  1  0.513188  0.416015  0.531343  1
  P  P76  1  0.761341  0.165561  0.623898  1
  P  P77  1  0.260429  0.168731  0.561627  1
  P  P78  1  0.007026  0.922739  0.528948  1
  P  P79  1  0.259917  0.654571  0.562432  1
  P  P80  1  0.760033  0.154535  0.561252  1
