# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.07891298
_cell_length_b   11.69476118
_cell_length_c   45.49853345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.68978767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe32 P128'
_cell_volume   7738.65868022
_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  0.992216  0.559787  0.306393  1
  Fe  Fe2  1  0.655132  0.826583  0.377532  1
  Fe  Fe3  1  0.825397  0.196964  0.341652  1
  Fe  Fe4  1  0.825822  0.690905  0.339906  1
  Fe  Fe5  1  0.492216  0.559787  0.306393  1
  Fe  Fe6  1  0.155132  0.826583  0.377532  1
  Fe  Fe7  1  0.325397  0.196964  0.341652  1
  Fe  Fe8  1  0.325822  0.690905  0.339906  1
  Fe  Fe9  1  0.863886  0.254768  0.405085  1
  Fe  Fe10  1  0.513407  0.534336  0.490013  1
  Fe  Fe11  1  0.688626  0.902319  0.453787  1
  Fe  Fe12  1  0.675621  0.407047  0.452491  1
  Fe  Fe13  1  0.363886  0.254768  0.405085  1
  Fe  Fe14  1  0.013407  0.534336  0.490013  1
  Fe  Fe15  1  0.188626  0.902319  0.453787  1
  Fe  Fe16  1  0.175621  0.407047  0.452491  1
  Fe  Fe17  1  0.723761  0.962611  0.516835  1
  Fe  Fe18  1  0.374682  0.244810  0.604600  1
  Fe  Fe19  1  0.547774  0.611568  0.565876  1
  Fe  Fe20  1  0.535508  0.113896  0.564045  1
  Fe  Fe21  1  0.223761  0.962611  0.516835  1
  Fe  Fe22  1  0.874682  0.244810  0.604600  1
  Fe  Fe23  1  0.047774  0.611568  0.565876  1
  Fe  Fe24  1  0.035508  0.113896  0.564045  1
  Fe  Fe25  1  0.580954  0.671268  0.629939  1
  Fe  Fe26  1  0.244044  0.951779  0.704523  1
  Fe  Fe27  1  0.402492  0.308980  0.669210  1
  Fe  Fe28  1  0.396406  0.819793  0.672698  1
  Fe  Fe29  1  0.080954  0.671268  0.629939  1
  Fe  Fe30  1  0.744044  0.951779  0.704523  1
  Fe  Fe31  1  0.902492  0.308980  0.669210  1
  Fe  Fe32  1  0.896406  0.819793  0.672698  1
  P  P33  1  0.966412  0.231260  0.324247  1
  P  P34  1  0.755267  0.796381  0.297010  1
  P  P35  1  0.747121  0.302108  0.298248  1
  P  P36  1  0.681661  0.651182  0.350571  1
  P  P37  1  0.685277  0.154447  0.353848  1
  P  P38  1  0.651556  0.087424  0.285955  1
  P  P39  1  0.572055  0.439428  0.340051  1
  P  P40  1  0.966681  0.741026  0.325438  1
  P  P41  1  0.857468  0.512059  0.307912  1
  P  P42  1  0.627727  0.583279  0.282336  1
  P  P43  1  0.895167  0.584273  0.380916  1
  P  P44  1  0.579966  0.942475  0.337735  1
  P  P45  1  0.860518  0.020699  0.310176  1
  P  P46  1  0.905286  0.074444  0.379807  1
  P  P47  1  0.789603  0.377604  0.366703  1
  P  P48  1  0.792081  0.874473  0.366789  1
  P  P49  1  0.466412  0.231260  0.324247  1
  P  P50  1  0.255267  0.796381  0.297010  1
  P  P51  1  0.247121  0.302108  0.298248  1
  P  P52  1  0.181661  0.651182  0.350571  1
  P  P53  1  0.185277  0.154447  0.353848  1
  P  P54  1  0.151556  0.087424  0.285955  1
  P  P55  1  0.072055  0.439428  0.340051  1
  P  P56  1  0.466681  0.741026  0.325438  1
  P  P57  1  0.357468  0.512059  0.307912  1
  P  P58  1  0.127727  0.583279  0.282336  1
  P  P59  1  0.395167  0.584273  0.380916  1
  P  P60  1  0.079966  0.942475  0.337735  1
  P  P61  1  0.360518  0.020699  0.310176  1
  P  P62  1  0.405286  0.074444  0.379807  1
  P  P63  1  0.289603  0.377604  0.366703  1
  P  P64  1  0.292081  0.874473  0.366789  1
  P  P65  1  0.826119  0.936906  0.436318  1
  P  P66  1  0.614156  0.509501  0.409345  1
  P  P67  1  0.612488  0.008041  0.409007  1
  P  P68  1  0.537989  0.359563  0.463025  1
  P  P69  1  0.546068  0.862269  0.463931  1
  P  P70  1  0.509962  0.792438  0.394184  1
  P  P71  1  0.432346  0.149306  0.449448  1
  P  P72  1  0.826930  0.436001  0.437130  1
  P  P73  1  0.720807  0.221893  0.421815  1
  P  P74  1  0.503852  0.295836  0.394145  1
  P  P75  1  0.755946  0.291270  0.491502  1
  P  P76  1  0.437602  0.649885  0.450402  1
  P  P77  1  0.721723  0.721252  0.421669  1
  P  P78  1  0.764296  0.782335  0.492166  1
  P  P79  1  0.646949  0.084683  0.478611  1
  P  P80  1  0.651741  0.583676  0.479619  1
  P  P81  1  0.326119  0.936906  0.436318  1
  P  P82  1  0.114156  0.509501  0.409345  1
  P  P83  1  0.112488  0.008041  0.409007  1
  P  P84  1  0.037989  0.359563  0.463025  1
  P  P85  1  0.046068  0.862269  0.463931  1
  P  P86  1  0.009962  0.792438  0.394184  1
  P  P87  1  0.932346  0.149306  0.449448  1
  P  P88  1  0.326930  0.436001  0.437130  1
  P  P89  1  0.220807  0.221893  0.421815  1
  P  P90  1  0.003852  0.295836  0.394145  1
  P  P91  1  0.255946  0.291270  0.491502  1
  P  P92  1  0.937602  0.649885  0.450402  1
  P  P93  1  0.221723  0.721252  0.421669  1
  P  P94  1  0.264296  0.782335  0.492166  1
  P  P95  1  0.146949  0.084683  0.478611  1
  P  P96  1  0.151741  0.583676  0.479619  1
  P  P97  1  0.686088  0.645010  0.549176  1
  P  P98  1  0.472664  0.217334  0.520991  1
  P  P99  1  0.472691  0.716977  0.520819  1
  P  P100  1  0.397554  0.069193  0.574323  1
  P  P101  1  0.405220  0.572185  0.575761  1
  P  P102  1  0.368646  0.501273  0.506623  1
  P  P103  1  0.292299  0.857707  0.561003  1
  P  P104  1  0.686463  0.143695  0.548192  1
  P  P105  1  0.580160  0.928775  0.533215  1
  P  P106  1  0.364459  0.004052  0.505237  1
  P  P107  1  0.615859  0.999077  0.602860  1
  P  P108  1  0.297217  0.356208  0.562289  1
  P  P109  1  0.581873  0.429222  0.533667  1
  P  P110  1  0.622344  0.491658  0.603974  1
  P  P111  1  0.507547  0.793188  0.590736  1
  P  P112  1  0.510497  0.291268  0.590550  1
  P  P113  1  0.186088  0.645010  0.549176  1
  P  P114  1  0.972664  0.217334  0.520991  1
  P  P115  1  0.972691  0.716977  0.520819  1
  P  P116  1  0.897554  0.069193  0.574323  1
  P  P117  1  0.905220  0.572185  0.575761  1
  P  P118  1  0.868646  0.501273  0.506623  1
  P  P119  1  0.792299  0.857707  0.561003  1
  P  P120  1  0.186463  0.143695  0.548192  1
  P  P121  1  0.080160  0.928775  0.533215  1
  P  P122  1  0.864459  0.004052  0.505237  1
  P  P123  1  0.115859  0.999077  0.602860  1
  P  P124  1  0.797217  0.356208  0.562289  1
  P  P125  1  0.081873  0.429222  0.533667  1
  P  P126  1  0.122344  0.491658  0.603974  1
  P  P127  1  0.007547  0.793188  0.590736  1
  P  P128  1  0.010497  0.291268  0.590550  1
  P  P129  1  0.544963  0.352034  0.658696  1
  P  P130  1  0.333923  0.922264  0.631102  1
  P  P131  1  0.327587  0.430113  0.631373  1
  P  P132  1  0.257352  0.769357  0.688477  1
  P  P133  1  0.263735  0.275957  0.686697  1
  P  P134  1  0.228004  0.208097  0.617654  1
  P  P135  1  0.149867  0.562692  0.673612  1
  P  P136  1  0.547831  0.850326  0.661106  1
  P  P137  1  0.438008  0.635284  0.645010  1
  P  P138  1  0.222338  0.714836  0.618236  1
  P  P139  1  0.472049  0.709147  0.713965  1
  P  P140  1  0.154793  0.066178  0.672492  1
  P  P141  1  0.441128  0.128107  0.644839  1
  P  P142  1  0.480688  0.212760  0.713731  1
  P  P143  1  0.370163  0.488146  0.700707  1
  P  P144  1  0.376758  0.998415  0.703751  1
  P  P145  1  0.044963  0.352034  0.658696  1
  P  P146  1  0.833923  0.922264  0.631102  1
  P  P147  1  0.827587  0.430113  0.631373  1
  P  P148  1  0.757352  0.769357  0.688477  1
  P  P149  1  0.763735  0.275957  0.686697  1
  P  P150  1  0.728004  0.208097  0.617654  1
  P  P151  1  0.649867  0.562692  0.673612  1
  P  P152  1  0.047831  0.850326  0.661106  1
  P  P153  1  0.938008  0.635284  0.645010  1
  P  P154  1  0.722338  0.714836  0.618236  1
  P  P155  1  0.972049  0.709147  0.713965  1
  P  P156  1  0.654793  0.066178  0.672492  1
  P  P157  1  0.941128  0.128107  0.644839  1
  P  P158  1  0.980688  0.212760  0.713731  1
  P  P159  1  0.870163  0.488146  0.700707  1
  P  P160  1  0.876758  0.998415  0.703751  1
