# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67318369
_cell_length_b   15.19069172
_cell_length_c   54.79414333
_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   'Fe32 P128'
_cell_volume   8051.58026147
_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  0.123423  0.145628  0.358892  1
  Fe  Fe2  1  0.126753  0.549085  0.304419  1
  Fe  Fe3  1  0.379664  0.846511  0.331913  1
  Fe  Fe4  1  0.381792  0.244745  0.277874  1
  Fe  Fe5  1  0.624547  0.944860  0.386891  1
  Fe  Fe6  1  0.623885  0.346257  0.331027  1
  Fe  Fe7  1  0.880140  0.046900  0.304666  1
  Fe  Fe8  1  0.882347  0.645968  0.359444  1
  Fe  Fe9  1  0.124435  0.342834  0.470408  1
  Fe  Fe10  1  0.124027  0.744389  0.414932  1
  Fe  Fe11  1  0.380714  0.043709  0.442667  1
  Fe  Fe12  1  0.381055  0.444759  0.386894  1
  Fe  Fe13  1  0.624294  0.142303  0.498258  1
  Fe  Fe14  1  0.624539  0.543378  0.442554  1
  Fe  Fe15  1  0.880981  0.244423  0.414795  1
  Fe  Fe16  1  0.880986  0.842924  0.470466  1
  Fe  Fe17  1  0.124205  0.540050  0.581717  1
  Fe  Fe18  1  0.124200  0.941549  0.526046  1
  Fe  Fe19  1  0.380648  0.241095  0.553958  1
  Fe  Fe20  1  0.380892  0.642170  0.498254  1
  Fe  Fe21  1  0.624132  0.339714  0.609617  1
  Fe  Fe22  1  0.624472  0.740764  0.553845  1
  Fe  Fe23  1  0.880751  0.441639  0.526104  1
  Fe  Fe24  1  0.881160  0.040083  0.581580  1
  Fe  Fe25  1  0.125046  0.737573  0.691846  1
  Fe  Fe26  1  0.122840  0.138505  0.637067  1
  Fe  Fe27  1  0.381301  0.438216  0.665485  1
  Fe  Fe28  1  0.380640  0.839613  0.609621  1
  Fe  Fe29  1  0.623394  0.539728  0.718637  1
  Fe  Fe30  1  0.625522  0.937962  0.664599  1
  Fe  Fe31  1  0.881764  0.638845  0.637620  1
  Fe  Fe32  1  0.878433  0.235388  0.692093  1
  P  P33  1  0.751887  0.795252  0.305524  1
  P  P34  1  0.754808  0.397277  0.360304  1
  P  P35  1  0.991790  0.652127  0.289872  1
  P  P36  1  0.989193  0.248943  0.344809  1
  P  P37  1  0.248031  0.898200  0.360740  1
  P  P38  1  0.244303  0.300219  0.304739  1
  P  P39  1  0.015180  0.748779  0.344816  1
  P  P40  1  0.012746  0.149352  0.289308  1
  P  P41  1  0.258669  0.793318  0.301296  1
  P  P42  1  0.250979  0.393247  0.357564  1
  P  P43  1  0.755640  0.892554  0.357672  1
  P  P44  1  0.750914  0.294178  0.301050  1
  P  P45  1  0.013541  0.941726  0.317626  1
  P  P46  1  0.015744  0.542490  0.373498  1
  P  P47  1  0.990403  0.042678  0.373452  1
  P  P48  1  0.990584  0.445607  0.318015  1
  P  P49  1  0.256456  0.999115  0.278548  1
  P  P50  1  0.260183  0.600165  0.332919  1
  P  P51  1  0.490040  0.047622  0.372677  1
  P  P52  1  0.490883  0.449330  0.315950  1
  P  P53  1  0.748223  0.099528  0.333225  1
  P  P54  1  0.750177  0.499513  0.278628  1
  P  P55  1  0.515962  0.947250  0.316762  1
  P  P56  1  0.515282  0.547337  0.372605  1
  P  P57  1  0.749401  0.192722  0.385716  1
  P  P58  1  0.751139  0.592603  0.330554  1
  P  P59  1  0.254819  0.092701  0.329908  1
  P  P60  1  0.255282  0.692502  0.385840  1
  P  P61  1  0.514782  0.744148  0.346529  1
  P  P62  1  0.517051  0.140851  0.289900  1
  P  P63  1  0.505977  0.649271  0.292277  1
  P  P64  1  0.489940  0.243580  0.345519  1
  P  P65  1  0.755118  0.996633  0.416149  1
  P  P66  1  0.755324  0.595130  0.471774  1
  P  P67  1  0.990326  0.847381  0.400657  1
  P  P68  1  0.990605  0.445803  0.456168  1
  P  P69  1  0.249677  0.095348  0.471854  1
  P  P70  1  0.250229  0.496336  0.416149  1
  P  P71  1  0.014503  0.946075  0.456229  1
  P  P72  1  0.014843  0.347205  0.400435  1
  P  P73  1  0.249615  0.992160  0.413472  1
  P  P74  1  0.249999  0.590457  0.469049  1
  P  P75  1  0.755349  0.090667  0.469060  1
  P  P76  1  0.755522  0.491630  0.413334  1
  P  P77  1  0.014559  0.141296  0.429024  1
  P  P78  1  0.014670  0.739823  0.484692  1
  P  P79  1  0.990544  0.239948  0.484695  1
  P  P80  1  0.990799  0.641038  0.429144  1
  P  P81  1  0.254718  0.197042  0.388163  1
  P  P82  1  0.255427  0.796022  0.444067  1
  P  P83  1  0.490492  0.245317  0.484029  1
  P  P84  1  0.490716  0.646454  0.428339  1
  P  P85  1  0.749783  0.295889  0.443996  1
  P  P86  1  0.750373  0.697188  0.388555  1
  P  P87  1  0.514392  0.146590  0.428352  1
  P  P88  1  0.514658  0.745154  0.483987  1
  P  P89  1  0.749864  0.389902  0.496895  1
  P  P90  1  0.749749  0.791260  0.441317  1
  P  P91  1  0.255342  0.291121  0.441191  1
  P  P92  1  0.255425  0.889880  0.496887  1
  P  P93  1  0.514653  0.940776  0.456926  1
  P  P94  1  0.514495  0.341697  0.401189  1
  P  P95  1  0.490545  0.842486  0.401496  1
  P  P96  1  0.490666  0.440462  0.456832  1
  P  P97  1  0.755188  0.194016  0.527463  1
  P  P98  1  0.755571  0.792313  0.583040  1
  P  P99  1  0.990516  0.044650  0.511820  1
  P  P100  1  0.990627  0.643177  0.567488  1
  P  P101  1  0.249664  0.292843  0.583178  1
  P  P102  1  0.249837  0.693806  0.527452  1
  P  P103  1  0.014387  0.143435  0.567368  1
  P  P104  1  0.014642  0.544525  0.511816  1
  P  P105  1  0.249862  0.189343  0.524737  1
  P  P106  1  0.250069  0.787840  0.580362  1
  P  P107  1  0.754957  0.288137  0.580363  1
  P  P108  1  0.755509  0.689125  0.524658  1
  P  P109  1  0.014581  0.338670  0.540344  1
  P  P110  1  0.014860  0.937092  0.595855  1
  P  P111  1  0.990343  0.437268  0.596077  1
  P  P112  1  0.990684  0.838398  0.540283  1
  P  P113  1  0.255323  0.394571  0.499616  1
  P  P114  1  0.255437  0.993213  0.555194  1
  P  P115  1  0.490691  0.442776  0.595323  1
  P  P116  1  0.490533  0.843697  0.539586  1
  P  P117  1  0.749844  0.493352  0.555321  1
  P  P118  1  0.749762  0.894593  0.499625  1
  P  P119  1  0.514520  0.344011  0.539680  1
  P  P120  1  0.514641  0.941987  0.595016  1
  P  P121  1  0.750468  0.587431  0.608349  1
  P  P122  1  0.749760  0.988451  0.552445  1
  P  P123  1  0.255403  0.488584  0.552516  1
  P  P124  1  0.254813  0.087285  0.607956  1
  P  P125  1  0.514470  0.138019  0.568173  1
  P  P126  1  0.514694  0.539156  0.512483  1
  P  P127  1  0.490529  0.039319  0.512524  1
  P  P128  1  0.490794  0.637883  0.568160  1
  P  P129  1  0.754208  0.391226  0.638948  1
  P  P130  1  0.746517  0.991155  0.695216  1
  P  P131  1  0.989442  0.241983  0.623014  1
  P  P132  1  0.991646  0.842747  0.678886  1
  P  P133  1  0.254272  0.490295  0.695462  1
  P  P134  1  0.249546  0.891919  0.638840  1
  P  P135  1  0.014602  0.338866  0.678497  1
  P  P136  1  0.014784  0.741795  0.623060  1
  P  P137  1  0.250378  0.387196  0.636208  1
  P  P138  1  0.253299  0.989221  0.690988  1
  P  P139  1  0.760883  0.484254  0.691773  1
  P  P140  1  0.757155  0.886273  0.635772  1
  P  P141  1  0.015993  0.535530  0.651703  1
  P  P142  1  0.013396  0.132346  0.706639  1
  P  P143  1  0.992440  0.635121  0.707204  1
  P  P144  1  0.990006  0.035694  0.651696  1
  P  P145  1  0.255785  0.591751  0.610796  1
  P  P146  1  0.254047  0.191870  0.665958  1
  P  P147  1  0.488136  0.643622  0.706612  1
  P  P148  1  0.490404  0.040324  0.649983  1
  P  P149  1  0.750368  0.691772  0.666604  1
  P  P150  1  0.749904  0.091971  0.610672  1
  P  P151  1  0.515247  0.540893  0.650993  1
  P  P152  1  0.499209  0.135202  0.704235  1
  P  P153  1  0.748731  0.785358  0.717963  1
  P  P154  1  0.745003  0.184308  0.663593  1
  P  P155  1  0.256963  0.684945  0.663287  1
  P  P156  1  0.255010  0.284960  0.717884  1
  P  P157  1  0.514303  0.335143  0.680562  1
  P  P158  1  0.515147  0.736851  0.623835  1
  P  P159  1  0.489904  0.237136  0.623907  1
  P  P160  1  0.489224  0.837223  0.679750  1
