# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26736509
_cell_length_b   15.20636746
_cell_length_c   54.77029467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.56839269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe32 P128'
_cell_volume   7718.17299378
_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  0.635312  0.095376  0.302405  1
  Fe  Fe2  1  0.149731  0.179617  0.380337  1
  Fe  Fe3  1  0.879194  0.132082  0.335446  1
  Fe  Fe4  1  0.404755  0.220241  0.290448  1
  Fe  Fe5  1  0.635312  0.595376  0.302405  1
  Fe  Fe6  1  0.149731  0.679617  0.380337  1
  Fe  Fe7  1  0.879194  0.632082  0.335446  1
  Fe  Fe8  1  0.404755  0.720241  0.290448  1
  Fe  Fe9  1  0.648999  0.882748  0.409213  1
  Fe  Fe10  1  0.144938  0.979775  0.492123  1
  Fe  Fe11  1  0.868243  0.930128  0.447764  1
  Fe  Fe12  1  0.369714  0.040367  0.393301  1
  Fe  Fe13  1  0.648999  0.382748  0.409213  1
  Fe  Fe14  1  0.144938  0.479775  0.492123  1
  Fe  Fe15  1  0.868243  0.430128  0.447764  1
  Fe  Fe16  1  0.369714  0.540367  0.393301  1
  Fe  Fe17  1  0.643432  0.683406  0.520481  1
  Fe  Fe18  1  0.140013  0.780083  0.603565  1
  Fe  Fe19  1  0.862276  0.730461  0.559148  1
  Fe  Fe20  1  0.365442  0.840424  0.504770  1
  Fe  Fe21  1  0.643432  0.183406  0.520481  1
  Fe  Fe22  1  0.140013  0.280083  0.603565  1
  Fe  Fe23  1  0.862276  0.230461  0.559148  1
  Fe  Fe24  1  0.365442  0.340424  0.504770  1
  Fe  Fe25  1  0.639252  0.484665  0.632875  1
  Fe  Fe26  1  0.108172  0.583753  0.705343  1
  Fe  Fe27  1  0.867973  0.536457  0.671089  1
  Fe  Fe28  1  0.360942  0.640306  0.616026  1
  Fe  Fe29  1  0.639252  0.984665  0.632875  1
  Fe  Fe30  1  0.108172  0.083753  0.705343  1
  Fe  Fe31  1  0.867973  0.036457  0.671089  1
  Fe  Fe32  1  0.360942  0.140306  0.616026  1
  P  P33  1  0.886375  0.986396  0.350955  1
  P  P34  1  0.392663  0.287640  0.325759  1
  P  P35  1  0.884433  0.184398  0.379192  1
  P  P36  1  0.394013  0.189084  0.380792  1
  P  P37  1  0.885996  0.279925  0.323741  1
  P  P38  1  0.135229  0.330283  0.364919  1
  P  P39  1  0.641436  0.338972  0.366218  1
  P  P40  1  0.383789  0.072468  0.293793  1
  P  P41  1  0.640792  0.233325  0.281385  1
  P  P42  1  0.641383  0.438106  0.308936  1
  P  P43  1  0.386460  0.986240  0.352520  1
  P  P44  1  0.133955  0.430595  0.310766  1
  P  P45  1  0.144072  0.131900  0.337725  1
  P  P46  1  0.892600  0.082828  0.294019  1
  P  P47  1  0.627405  0.134305  0.340942  1
  P  P48  1  0.155275  0.235795  0.283014  1
  P  P49  1  0.886375  0.486396  0.350955  1
  P  P50  1  0.392663  0.787640  0.325759  1
  P  P51  1  0.884433  0.684398  0.379192  1
  P  P52  1  0.394013  0.689084  0.380792  1
  P  P53  1  0.885996  0.779925  0.323741  1
  P  P54  1  0.135229  0.830283  0.364919  1
  P  P55  1  0.641436  0.838972  0.366218  1
  P  P56  1  0.383789  0.572468  0.293793  1
  P  P57  1  0.640792  0.733325  0.281385  1
  P  P58  1  0.641383  0.938106  0.308936  1
  P  P59  1  0.386460  0.486240  0.352520  1
  P  P60  1  0.133955  0.930595  0.310766  1
  P  P61  1  0.144072  0.631900  0.337725  1
  P  P62  1  0.892600  0.582828  0.294019  1
  P  P63  1  0.627405  0.634305  0.340942  1
  P  P64  1  0.155275  0.735795  0.283014  1
  P  P65  1  0.880149  0.785473  0.463082  1
  P  P66  1  0.380570  0.083187  0.434853  1
  P  P67  1  0.877505  0.984420  0.490821  1
  P  P68  1  0.390774  0.988510  0.491973  1
  P  P69  1  0.884647  0.079960  0.435871  1
  P  P70  1  0.133318  0.130445  0.476957  1
  P  P71  1  0.633113  0.136722  0.477777  1
  P  P72  1  0.380808  0.884206  0.406862  1
  P  P73  1  0.639862  0.032753  0.394527  1
  P  P74  1  0.635322  0.234608  0.421965  1
  P  P75  1  0.382801  0.784721  0.464231  1
  P  P76  1  0.133574  0.231372  0.421582  1
  P  P77  1  0.137812  0.932780  0.449735  1
  P  P78  1  0.895269  0.879103  0.406991  1
  P  P79  1  0.619571  0.934390  0.449791  1
  P  P80  1  0.122190  0.031816  0.393446  1
  P  P81  1  0.880149  0.285473  0.463082  1
  P  P82  1  0.380570  0.583187  0.434853  1
  P  P83  1  0.877505  0.484420  0.490821  1
  P  P84  1  0.390774  0.488510  0.491973  1
  P  P85  1  0.884647  0.579960  0.435871  1
  P  P86  1  0.133318  0.630445  0.476957  1
  P  P87  1  0.633113  0.636722  0.477777  1
  P  P88  1  0.380808  0.384206  0.406862  1
  P  P89  1  0.639862  0.532753  0.394527  1
  P  P90  1  0.635322  0.734608  0.421965  1
  P  P91  1  0.382801  0.284721  0.464231  1
  P  P92  1  0.133574  0.731372  0.421582  1
  P  P93  1  0.137812  0.432780  0.449735  1
  P  P94  1  0.895269  0.379103  0.406991  1
  P  P95  1  0.619571  0.434390  0.449791  1
  P  P96  1  0.122190  0.531816  0.393446  1
  P  P97  1  0.874383  0.585653  0.574543  1
  P  P98  1  0.376073  0.883398  0.546386  1
  P  P99  1  0.871500  0.784925  0.602189  1
  P  P100  1  0.386487  0.788345  0.603544  1
  P  P101  1  0.878855  0.880317  0.547316  1
  P  P102  1  0.128260  0.930743  0.588782  1
  P  P103  1  0.628070  0.936984  0.589435  1
  P  P104  1  0.376050  0.684323  0.518666  1
  P  P105  1  0.634792  0.833292  0.505516  1
  P  P106  1  0.629385  0.034690  0.533625  1
  P  P107  1  0.377719  0.585063  0.575648  1
  P  P108  1  0.128940  0.031227  0.533191  1
  P  P109  1  0.132138  0.733401  0.561193  1
  P  P110  1  0.889406  0.678817  0.518475  1
  P  P111  1  0.614547  0.734892  0.561181  1
  P  P112  1  0.117421  0.832047  0.505097  1
  P  P113  1  0.874383  0.085653  0.574543  1
  P  P114  1  0.376073  0.383398  0.546386  1
  P  P115  1  0.871500  0.284925  0.602189  1
  P  P116  1  0.386487  0.288345  0.603544  1
  P  P117  1  0.878855  0.380317  0.547316  1
  P  P118  1  0.128260  0.430743  0.588782  1
  P  P119  1  0.628070  0.436984  0.589435  1
  P  P120  1  0.376050  0.184323  0.518666  1
  P  P121  1  0.634792  0.333292  0.505516  1
  P  P122  1  0.629385  0.534690  0.533625  1
  P  P123  1  0.377719  0.085063  0.575648  1
  P  P124  1  0.128940  0.531227  0.533191  1
  P  P125  1  0.132138  0.233401  0.561193  1
  P  P126  1  0.889406  0.178817  0.518475  1
  P  P127  1  0.614547  0.234892  0.561181  1
  P  P128  1  0.117421  0.332047  0.505097  1
  P  P129  1  0.869469  0.387778  0.686606  1
  P  P130  1  0.372601  0.682896  0.658002  1
  P  P131  1  0.870337  0.580122  0.715017  1
  P  P132  1  0.349974  0.579720  0.715205  1
  P  P133  1  0.868638  0.682124  0.658216  1
  P  P134  1  0.113772  0.731560  0.700115  1
  P  P135  1  0.622867  0.729833  0.699350  1
  P  P136  1  0.374840  0.483629  0.629910  1
  P  P137  1  0.629481  0.633360  0.617119  1
  P  P138  1  0.623970  0.835570  0.645752  1
  P  P139  1  0.371928  0.382145  0.686244  1
  P  P140  1  0.123873  0.828574  0.644778  1
  P  P141  1  0.129767  0.528557  0.668845  1
  P  P142  1  0.881806  0.478300  0.630099  1
  P  P143  1  0.610480  0.534290  0.673823  1
  P  P144  1  0.111960  0.632555  0.616187  1
  P  P145  1  0.869469  0.887778  0.686606  1
  P  P146  1  0.372601  0.182896  0.658002  1
  P  P147  1  0.870337  0.080122  0.715017  1
  P  P148  1  0.349974  0.079720  0.715205  1
  P  P149  1  0.868638  0.182124  0.658216  1
  P  P150  1  0.113772  0.231560  0.700115  1
  P  P151  1  0.622867  0.229833  0.699350  1
  P  P152  1  0.374840  0.983629  0.629910  1
  P  P153  1  0.629481  0.133360  0.617119  1
  P  P154  1  0.623970  0.335570  0.645752  1
  P  P155  1  0.371928  0.882145  0.686244  1
  P  P156  1  0.123873  0.328574  0.644778  1
  P  P157  1  0.129767  0.028557  0.668845  1
  P  P158  1  0.881806  0.978300  0.630099  1
  P  P159  1  0.610480  0.034290  0.673823  1
  P  P160  1  0.111960  0.132555  0.616187  1
