# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64101654
_cell_length_b   20.17586256
_cell_length_c   53.74192724
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.90657587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe30 P120'
_cell_volume   7145.67210941
_cell_formula_units_Z   30
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  0.873273  0.668441  0.343595  1
  Fe  Fe2  1  0.962098  0.277888  0.295790  1
  Fe  Fe3  1  0.417695  0.401181  0.321788  1
  Fe  Fe4  1  0.214864  0.961845  0.293453  1
  Fe  Fe5  1  0.146859  0.536201  0.332973  1
  Fe  Fe6  1  0.395421  0.038418  0.333173  1
  Fe  Fe7  1  0.487241  0.496807  0.433766  1
  Fe  Fe8  1  0.570453  0.106267  0.377822  1
  Fe  Fe9  1  0.019865  0.229029  0.411966  1
  Fe  Fe10  1  0.312582  0.793339  0.376556  1
  Fe  Fe11  1  0.745837  0.362992  0.423877  1
  Fe  Fe12  1  0.478233  0.862191  0.422195  1
  Fe  Fe13  1  0.495788  0.334026  0.527707  1
  Fe  Fe14  1  0.638433  0.931145  0.468076  1
  Fe  Fe15  1  0.085365  0.059247  0.501040  1
  Fe  Fe16  1  0.963110  0.619570  0.464202  1
  Fe  Fe17  1  0.811147  0.188208  0.513533  1
  Fe  Fe18  1  0.293646  0.693796  0.514262  1
  Fe  Fe19  1  0.578507  0.160424  0.616499  1
  Fe  Fe20  1  0.625813  0.768321  0.564054  1
  Fe  Fe21  1  0.105679  0.891288  0.593950  1
  Fe  Fe22  1  0.954963  0.457158  0.560169  1
  Fe  Fe23  1  0.848871  0.025281  0.604103  1
  Fe  Fe24  1  0.112047  0.525607  0.606191  1
  Fe  Fe25  1  0.164653  0.984196  0.701776  1
  Fe  Fe26  1  0.273685  0.593552  0.652637  1
  Fe  Fe27  1  0.712330  0.720973  0.684664  1
  Fe  Fe28  1  0.028120  0.281434  0.651038  1
  Fe  Fe29  1  0.433848  0.853099  0.693513  1
  Fe  Fe30  1  0.220050  0.351868  0.688445  1
  P  P31  1  0.809854  0.787805  0.330450  1
  P  P32  1  0.961512  0.281869  0.336619  1
  P  P33  1  0.462985  0.283568  0.334312  1
  P  P34  1  0.309827  0.787972  0.330442  1
  P  P35  1  0.006829  0.876373  0.285074  1
  P  P36  1  0.682426  0.365416  0.289184  1
  P  P37  1  0.590690  0.122879  0.333659  1
  P  P38  1  0.892975  0.563876  0.362883  1
  P  P39  1  0.194098  0.949953  0.333948  1
  P  P40  1  0.394599  0.507466  0.301213  1
  P  P41  1  0.425867  0.043632  0.286398  1
  P  P42  1  0.171439  0.423673  0.350106  1
  P  P43  1  0.745386  0.202218  0.286379  1
  P  P44  1  0.109376  0.648180  0.312876  1
  P  P45  1  0.085533  0.115355  0.335229  1
  P  P46  1  0.394807  0.563346  0.361761  1
  P  P47  1  0.700394  0.958748  0.330838  1
  P  P48  1  0.895831  0.505463  0.304574  1
  P  P49  1  0.607671  0.645603  0.317430  1
  P  P50  1  0.241546  0.200226  0.289170  1
  P  P51  1  0.674700  0.423575  0.348157  1
  P  P52  1  0.931962  0.041523  0.286837  1
  P  P53  1  0.497587  0.880125  0.286258  1
  P  P54  1  0.181201  0.366326  0.290346  1
  P  P55  1  0.458546  0.615040  0.421263  1
  P  P56  1  0.569604  0.113409  0.424299  1
  P  P57  1  0.071890  0.110370  0.424328  1
  P  P58  1  0.963491  0.620044  0.420208  1
  P  P59  1  0.111085  0.701337  0.372867  1
  P  P60  1  0.283984  0.194244  0.379804  1
  P  P61  1  0.663645  0.950224  0.423854  1
  P  P62  1  0.499883  0.390962  0.455097  1
  P  P63  1  0.293961  0.775094  0.419794  1
  P  P64  1  0.001936  0.335432  0.393813  1
  P  P65  1  0.514776  0.873262  0.375652  1
  P  P66  1  0.774001  0.250441  0.441121  1
  P  P67  1  0.359285  0.027894  0.379702  1
  P  P68  1  0.731775  0.474265  0.405608  1
  P  P69  1  0.162957  0.938556  0.425045  1
  P  P70  1  0.001958  0.390839  0.452567  1
  P  P71  1  0.796352  0.786752  0.418759  1
  P  P72  1  0.500548  0.335385  0.394098  1
  P  P73  1  0.225026  0.475179  0.407979  1
  P  P74  1  0.864241  0.031015  0.378756  1
  P  P75  1  0.281431  0.253021  0.438542  1
  P  P76  1  0.007025  0.866853  0.376681  1
  P  P77  1  0.608132  0.706169  0.375044  1
  P  P78  1  0.781855  0.197355  0.381232  1
  P  P79  1  0.455854  0.447667  0.515007  1
  P  P80  1  0.637697  0.934481  0.514120  1
  P  P81  1  0.136266  0.941221  0.513072  1
  P  P82  1  0.956249  0.452014  0.514132  1
  P  P83  1  0.738006  0.530584  0.463660  1
  P  P84  1  0.359613  0.022239  0.469532  1
  P  P85  1  0.597077  0.765828  0.517591  1
  P  P86  1  0.538741  0.222212  0.544658  1
  P  P87  1  0.992145  0.621065  0.510754  1
  P  P88  1  0.065130  0.166400  0.482626  1
  P  P89  1  0.206920  0.699593  0.468918  1
  P  P90  1  0.822325  0.077802  0.530072  1
  P  P91  1  0.419686  0.851006  0.468984  1
  P  P92  1  0.769592  0.307504  0.498913  1
  P  P93  1  0.079604  0.783900  0.519312  1
  P  P94  1  0.039317  0.222951  0.542757  1
  P  P95  1  0.508444  0.604057  0.508844  1
  P  P96  1  0.559061  0.165211  0.485550  1
  P  P97  1  0.264890  0.306343  0.499428  1
  P  P98  1  0.921440  0.854356  0.468487  1
  P  P99  1  0.329986  0.081598  0.528742  1
  P  P100  1  0.698418  0.700836  0.464563  1
  P  P101  1  0.232617  0.532225  0.466454  1
  P  P102  1  0.854876  0.025500  0.470237  1
  P  P103  1  0.529601  0.277983  0.604314  1
  P  P104  1  0.623819  0.766525  0.607943  1
  P  P105  1  0.129232  0.772938  0.606459  1
  P  P106  1  0.028924  0.273954  0.605035  1
  P  P107  1  0.739407  0.362774  0.558132  1
  P  P108  1  0.357323  0.855464  0.561265  1
  P  P109  1  0.290491  0.613127  0.608957  1
  P  P110  1  0.596915  0.054468  0.634266  1
  P  P111  1  0.930916  0.437052  0.604565  1
  P  P112  1  0.094911  0.997312  0.572964  1
  P  P113  1  0.173194  0.537103  0.559313  1
  P  P114  1  0.859895  0.913850  0.621880  1
  P  P115  1  0.381386  0.687826  0.559459  1
  P  P116  1  0.824661  0.138563  0.587236  1
  P  P117  1  0.787173  0.598811  0.610169  1
  P  P118  1  0.098681  0.053929  0.632954  1
  P  P119  1  0.434385  0.451725  0.602898  1
  P  P120  1  0.590698  0.997641  0.575754  1
  P  P121  1  0.319458  0.136814  0.589203  1
  P  P122  1  0.889547  0.686097  0.563991  1
  P  P123  1  0.368294  0.912167  0.619245  1
  P  P124  1  0.673352  0.534126  0.559379  1
  P  P125  1  0.234026  0.365587  0.559427  1
  P  P126  1  0.851073  0.857253  0.564480  1
  P  P127  1  0.116952  0.100077  0.694268  1
  P  P128  1  0.263171  0.603031  0.697917  1
  P  P129  1  0.765965  0.602925  0.697972  1
  P  P130  1  0.614251  0.103483  0.692590  1
  P  P131  1  0.814052  0.190303  0.648744  1
  P  P132  1  0.977122  0.682162  0.653173  1
  P  P133  1  0.407502  0.437399  0.699009  1
  P  P134  1  0.180202  0.891029  0.725548  1
  P  P135  1  0.024375  0.266039  0.696271  1
  P  P136  1  0.693178  0.824412  0.664548  1
  P  P137  1  0.248841  0.362506  0.647302  1
  P  P138  1  0.466812  0.745500  0.714853  1
  P  P139  1  0.067883  0.515123  0.653020  1
  P  P140  1  0.417637  0.964955  0.675521  1
  P  P141  1  0.920521  0.428874  0.698918  1
  P  P142  1  0.677028  0.889979  0.722222  1
  P  P143  1  0.519965  0.273835  0.693595  1
  P  P144  1  0.191320  0.823894  0.665168  1
  P  P145  1  0.907511  0.965379  0.677558  1
  P  P146  1  0.571134  0.518469  0.653333  1
  P  P147  1  0.969804  0.748181  0.710746  1
  P  P148  1  0.737954  0.358045  0.650797  1
  P  P149  1  0.313818  0.192749  0.649122  1
  P  P150  1  0.475602  0.685780  0.655425  1
