# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.62886889
_cell_length_b   9.16875617
_cell_length_c   47.90461697
_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   'Fe24 P96'
_cell_volume   5986.15018816
_cell_formula_units_Z   24
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  0.366752  0.304477  0.332423  1
  Fe  Fe2  1  0.123518  0.798623  0.403160  1
  Fe  Fe3  1  0.250243  0.080155  0.304944  1
  Fe  Fe4  1  0.241560  0.582138  0.370163  1
  Fe  Fe5  1  0.869227  0.298623  0.403160  1
  Fe  Fe6  1  0.625993  0.804477  0.332423  1
  Fe  Fe7  1  0.751185  0.082138  0.370163  1
  Fe  Fe8  1  0.742502  0.580155  0.304944  1
  Fe  Fe9  1  0.369607  0.295348  0.474720  1
  Fe  Fe10  1  0.123390  0.792089  0.546247  1
  Fe  Fe11  1  0.251974  0.078224  0.441689  1
  Fe  Fe12  1  0.241108  0.575006  0.513183  1
  Fe  Fe13  1  0.869355  0.292089  0.546247  1
  Fe  Fe14  1  0.623138  0.795348  0.474720  1
  Fe  Fe15  1  0.751637  0.075006  0.513183  1
  Fe  Fe16  1  0.740771  0.578224  0.441689  1
  Fe  Fe17  1  0.368007  0.290816  0.618404  1
  Fe  Fe18  1  0.125619  0.795457  0.682577  1
  Fe  Fe19  1  0.251672  0.073012  0.584959  1
  Fe  Fe20  1  0.238269  0.565814  0.654852  1
  Fe  Fe21  1  0.867126  0.295457  0.682577  1
  Fe  Fe22  1  0.624738  0.790816  0.618404  1
  Fe  Fe23  1  0.754476  0.065814  0.654852  1
  Fe  Fe24  1  0.741073  0.573012  0.584959  1
  P  P25  1  0.369117  0.064551  0.405028  1
  P  P26  1  0.125069  0.566797  0.333292  1
  P  P27  1  0.121262  0.068222  0.405331  1
  P  P28  1  0.115207  0.552338  0.404391  1
  P  P29  1  0.119972  0.069077  0.333295  1
  P  P30  1  -0.002627  0.817694  0.298587  1
  P  P31  1  0.995372  0.317694  0.298587  1
  P  P32  1  0.368142  0.573140  0.332187  1
  P  P33  1  0.246314  0.312114  0.368894  1
  P  P34  1  0.993532  0.314973  0.368278  1
  P  P35  1  0.369600  0.564129  0.403222  1
  P  P36  1  -0.000787  0.814973  0.368278  1
  P  P37  1  0.244267  0.829181  0.295820  1
  P  P38  1  0.381040  0.052487  0.332915  1
  P  P39  1  0.243398  0.321331  0.295315  1
  P  P40  1  0.247433  0.828547  0.368740  1
  P  P41  1  0.867676  0.066797  0.333292  1
  P  P42  1  0.623628  0.564551  0.405028  1
  P  P43  1  0.624603  0.073140  0.332187  1
  P  P44  1  0.611705  0.552487  0.332915  1
  P  P45  1  0.623145  0.064129  0.403222  1
  P  P46  1  0.501425  0.812425  0.368216  1
  P  P47  1  0.491320  0.312425  0.368216  1
  P  P48  1  0.871483  0.568222  0.405331  1
  P  P49  1  0.748478  0.329181  0.295820  1
  P  P50  1  0.488668  0.313175  0.295807  1
  P  P51  1  0.872773  0.569077  0.333295  1
  P  P52  1  0.504076  0.813175  0.295807  1
  P  P53  1  0.746431  0.812114  0.368894  1
  P  P54  1  0.877538  0.052338  0.404391  1
  P  P55  1  0.745312  0.328547  0.368740  1
  P  P56  1  0.749347  0.821331  0.295315  1
  P  P57  1  0.369779  0.059430  0.548525  1
  P  P58  1  0.122985  0.561823  0.476869  1
  P  P59  1  0.120988  0.062240  0.548422  1
  P  P60  1  0.115610  0.544873  0.547569  1
  P  P61  1  0.124205  0.060463  0.475295  1
  P  P62  1  0.000600  0.810513  0.440326  1
  P  P63  1  0.992144  0.310513  0.440326  1
  P  P64  1  0.371809  0.565117  0.476688  1
  P  P65  1  0.246790  0.303365  0.511487  1
  P  P66  1  0.993775  0.308508  0.511553  1
  P  P67  1  0.368808  0.557218  0.546844  1
  P  P68  1  -0.001030  0.808508  0.511553  1
  P  P69  1  0.246269  0.806176  0.439921  1
  P  P70  1  0.377279  0.048695  0.475942  1
  P  P71  1  0.245507  0.327033  0.440292  1
  P  P72  1  0.247583  0.823391  0.511822  1
  P  P73  1  0.869760  0.061823  0.476869  1
  P  P74  1  0.622966  0.559430  0.548525  1
  P  P75  1  0.620936  0.065117  0.476688  1
  P  P76  1  0.615466  0.548695  0.475942  1
  P  P77  1  0.623937  0.057218  0.546844  1
  P  P78  1  0.500528  0.807376  0.511893  1
  P  P79  1  0.492217  0.307376  0.511893  1
  P  P80  1  0.871757  0.562240  0.548422  1
  P  P81  1  0.746476  0.306176  0.439921  1
  P  P82  1  0.493707  0.311817  0.439703  1
  P  P83  1  0.868540  0.560463  0.475295  1
  P  P84  1  0.499038  0.811817  0.439703  1
  P  P85  1  0.745955  0.803365  0.511487  1
  P  P86  1  0.877135  0.044873  0.547569  1
  P  P87  1  0.745162  0.323391  0.511822  1
  P  P88  1  0.747238  0.827033  0.440292  1
  P  P89  1  0.370833  0.045619  0.689623  1
  P  P90  1  0.122156  0.552189  0.619641  1
  P  P91  1  0.120745  0.041383  0.692981  1
  P  P92  1  0.118963  0.549997  0.693017  1
  P  P93  1  0.124000  0.055338  0.618494  1
  P  P94  1  0.001902  0.803460  0.583774  1
  P  P95  1  0.990843  0.303460  0.583774  1
  P  P96  1  0.372190  0.559114  0.620014  1
  P  P97  1  0.245696  0.296005  0.655501  1
  P  P98  1  -0.001238  0.301192  0.655089  1
  P  P99  1  0.364497  0.561194  0.689854  1
  P  P100  1  0.993983  0.801192  0.655089  1
  P  P101  1  0.246211  0.800501  0.582846  1
  P  P102  1  0.378136  0.044619  0.619162  1
  P  P103  1  0.245488  0.320325  0.583554  1
  P  P104  1  0.250091  0.817068  0.652891  1
  P  P105  1  0.870589  0.052189  0.619641  1
  P  P106  1  0.621912  0.545619  0.689623  1
  P  P107  1  0.620555  0.059114  0.620014  1
  P  P108  1  0.614609  0.544619  0.619162  1
  P  P109  1  0.628248  0.061194  0.689854  1
  P  P110  1  0.503631  0.802752  0.655895  1
  P  P111  1  0.489114  0.302752  0.655895  1
  P  P112  1  0.872000  0.541383  0.692981  1
  P  P113  1  0.746534  0.300501  0.582846  1
  P  P114  1  0.493966  0.306079  0.583354  1
  P  P115  1  0.868745  0.555338  0.618494  1
  P  P116  1  0.498779  0.806079  0.583354  1
  P  P117  1  0.747049  0.796005  0.655501  1
  P  P118  1  0.873782  0.049997  0.693017  1
  P  P119  1  0.742654  0.317068  0.652891  1
  P  P120  1  0.747257  0.820325  0.583554  1
