# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74701143
_cell_length_b   16.47219531
_cell_length_c   54.27101948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.55308281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe24 P96'
_cell_volume   6031.29642724
_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  0.459295  0.126842  0.332172  1
  Fe  Fe2  1  0.999743  0.817532  0.303579  1
  Fe  Fe3  1  0.698594  0.137831  0.382441  1
  Fe  Fe4  1  0.220204  0.973252  0.318129  1
  Fe  Fe5  1  0.972961  0.805524  0.406315  1
  Fe  Fe6  1  0.464689  0.475474  0.365200  1
  Fe  Fe7  1  0.227372  0.484230  0.319349  1
  Fe  Fe8  1  0.699171  0.628475  0.384728  1
  Fe  Fe9  1  0.465964  0.468504  0.476269  1
  Fe  Fe10  1  0.966728  0.141537  0.440304  1
  Fe  Fe11  1  0.689190  0.466510  0.525280  1
  Fe  Fe12  1  0.194248  0.292006  0.455446  1
  Fe  Fe13  1  0.962421  0.133775  0.548566  1
  Fe  Fe14  1  0.464582  0.804794  0.512046  1
  Fe  Fe15  1  0.195544  0.800900  0.454551  1
  Fe  Fe16  1  0.690902  0.956659  0.528018  1
  Fe  Fe17  1  0.456505  0.797554  0.620565  1
  Fe  Fe18  1  0.959631  0.469369  0.582555  1
  Fe  Fe19  1  0.684437  0.795185  0.669058  1
  Fe  Fe20  1  0.183018  0.620488  0.599633  1
  Fe  Fe21  1  0.932027  0.442427  0.684242  1
  Fe  Fe22  1  0.462871  0.135598  0.654951  1
  Fe  Fe23  1  0.188374  0.130296  0.597209  1
  Fe  Fe24  1  0.692471  0.293731  0.671267  1
  P  P25  1  0.952519  0.219591  0.365904  1
  P  P26  1  0.475401  0.888742  0.331299  1
  P  P27  1  0.954447  0.052656  0.403407  1
  P  P28  1  0.970718  0.889560  0.336942  1
  P  P29  1  0.464037  0.055890  0.403529  1
  P  P30  1  0.735827  0.725458  0.312499  1
  P  P31  1  0.712725  0.885559  0.387269  1
  P  P32  1  0.459306  0.046273  0.293890  1
  P  P33  1  0.209907  0.056307  0.352039  1
  P  P34  1  0.221104  0.885857  0.386851  1
  P  P35  1  0.967753  0.044846  0.297143  1
  P  P36  1  0.228137  0.725744  0.312416  1
  P  P37  1  0.709067  0.221358  0.420806  1
  P  P38  1  0.457051  0.225604  0.365889  1
  P  P39  1  0.711782  0.049743  0.348956  1
  P  P40  1  0.208064  0.217571  0.418372  1
  P  P41  1  0.468631  0.553546  0.296073  1
  P  P42  1  0.951897  0.551235  0.402618  1
  P  P43  1  0.468885  0.385024  0.328997  1
  P  P44  1  0.457930  0.549504  0.404049  1
  P  P45  1  0.976391  0.389232  0.330235  1
  P  P46  1  0.210731  0.389134  0.384012  1
  P  P47  1  0.215346  0.212610  0.312468  1
  P  P48  1  0.959901  0.721671  0.368167  1
  P  P49  1  0.710053  0.718971  0.421926  1
  P  P50  1  0.709325  0.212920  0.313009  1
  P  P51  1  0.471274  0.721091  0.367194  1
  P  P52  1  0.708866  0.388192  0.383479  1
  P  P53  1  0.210933  0.564439  0.351535  1
  P  P54  1  0.983382  0.554676  0.295174  1
  P  P55  1  0.212663  0.712915  0.420052  1
  P  P56  1  0.720153  0.554459  0.347442  1
  P  P57  1  0.948274  0.547437  0.510031  1
  P  P58  1  0.450668  0.217324  0.473737  1
  P  P59  1  0.946226  0.380914  0.545432  1
  P  P60  1  0.952960  0.215407  0.476505  1
  P  P61  1  0.453204  0.383692  0.545226  1
  P  P62  1  0.706889  0.054240  0.456944  1
  P  P63  1  0.702899  0.213174  0.529070  1
  P  P64  1  0.453251  0.384296  0.438060  1
  P  P65  1  0.204606  0.383388  0.492583  1
  P  P66  1  0.205021  0.214316  0.528680  1
  P  P67  1  0.960053  0.383040  0.438796  1
  P  P68  1  0.208621  0.052777  0.456844  1
  P  P69  1  0.699143  0.549268  0.564308  1
  P  P70  1  0.449907  0.555572  0.510305  1
  P  P71  1  0.704888  0.378149  0.490994  1
  P  P72  1  0.200366  0.546597  0.562258  1
  P  P73  1  0.455656  0.883219  0.439700  1
  P  P74  1  0.947465  0.881292  0.546056  1
  P  P75  1  0.452154  0.716344  0.474774  1
  P  P76  1  0.449682  0.879163  0.548564  1
  P  P77  1  0.959450  0.718895  0.474688  1
  P  P78  1  0.202132  0.718188  0.528393  1
  P  P79  1  0.206826  0.548771  0.457138  1
  P  P80  1  0.950810  0.048677  0.510527  1
  P  P81  1  0.702839  0.047829  0.565061  1
  P  P82  1  0.707750  0.549957  0.456840  1
  P  P83  1  0.457760  0.047570  0.511311  1
  P  P84  1  0.704139  0.716310  0.528542  1
  P  P85  1  0.206863  0.884723  0.493382  1
  P  P86  1  0.957697  0.891628  0.439786  1
  P  P87  1  0.202245  0.042536  0.563324  1
  P  P88  1  0.707562  0.881305  0.491336  1
  P  P89  1  0.941885  0.877254  0.653089  1
  P  P90  1  0.437376  0.545394  0.617818  1
  P  P91  1  0.931221  0.709443  0.689519  1
  P  P92  1  0.938384  0.544171  0.619323  1
  P  P93  1  0.441175  0.711125  0.688753  1
  P  P94  1  0.694535  0.383065  0.598711  1
  P  P95  1  0.688604  0.538666  0.673436  1
  P  P96  1  0.444251  0.712598  0.582419  1
  P  P97  1  0.193455  0.712321  0.636801  1
  P  P98  1  0.182953  0.541831  0.671876  1
  P  P99  1  0.951194  0.712129  0.582991  1
  P  P100  1  0.202228  0.381113  0.598646  1
  P  P101  1  0.691660  0.875213  0.706617  1
  P  P102  1  0.442717  0.884542  0.654079  1
  P  P103  1  0.694811  0.706164  0.635317  1
  P  P104  1  0.188930  0.872218  0.704241  1
  P  P105  1  0.446925  0.211475  0.581821  1
  P  P106  1  0.944137  0.211451  0.688581  1
  P  P107  1  0.445567  0.045073  0.617936  1
  P  P108  1  0.447939  0.210222  0.692296  1
  P  P109  1  0.952008  0.048504  0.617957  1
  P  P110  1  0.201224  0.047640  0.671702  1
  P  P111  1  0.199038  0.877870  0.600889  1
  P  P112  1  0.945155  0.373113  0.649799  1
  P  P113  1  0.693268  0.376184  0.709153  1
  P  P114  1  0.700389  0.878366  0.600545  1
  P  P115  1  0.445652  0.375421  0.653974  1
  P  P116  1  0.699034  0.046273  0.672285  1
  P  P117  1  0.203196  0.212582  0.636197  1
  P  P118  1  0.948196  0.220523  0.582424  1
  P  P119  1  0.185454  0.377513  0.705643  1
  P  P120  1  0.698953  0.210411  0.634383  1
