# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77797524
_cell_length_b   20.54731990
_cell_length_c   51.46459157
_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   7167.4338157
_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  0.749764  0.175658  0.305572  1
  Fe  Fe2  1  0.749764  0.620270  0.367126  1
  Fe  Fe3  1  0.249764  0.005332  0.351351  1
  Fe  Fe4  1  0.249764  0.557185  0.289085  1
  Fe  Fe5  1  0.749764  0.897078  0.335835  1
  Fe  Fe6  1  0.749764  0.454459  0.274990  1
  Fe  Fe7  1  0.249764  0.839683  0.259033  1
  Fe  Fe8  1  0.249764  0.281428  0.318788  1
  Fe  Fe9  1  0.749764  0.064281  0.429986  1
  Fe  Fe10  1  0.749764  0.509696  0.492432  1
  Fe  Fe11  1  0.249764  0.895107  0.476068  1
  Fe  Fe12  1  0.249764  0.450230  0.413763  1
  Fe  Fe13  1  0.749764  0.787014  0.460974  1
  Fe  Fe14  1  0.749764  0.341723  0.398754  1
  Fe  Fe15  1  0.249764  0.727494  0.382016  1
  Fe  Fe16  1  0.249764  0.172799  0.445133  1
  Fe  Fe17  1  0.749764  0.954669  0.554851  1
  Fe  Fe18  1  0.749764  0.399974  0.617968  1
  Fe  Fe19  1  0.249764  0.785744  0.601230  1
  Fe  Fe20  1  0.249764  0.340454  0.539010  1
  Fe  Fe21  1  0.749764  0.677238  0.586221  1
  Fe  Fe22  1  0.749764  0.232361  0.523916  1
  Fe  Fe23  1  0.249764  0.617771  0.507552  1
  Fe  Fe24  1  0.249764  0.063187  0.569999  1
  Fe  Fe25  1  0.749764  0.846040  0.681196  1
  Fe  Fe26  1  0.749764  0.287785  0.740951  1
  Fe  Fe27  1  0.249764  0.673009  0.724994  1
  Fe  Fe28  1  0.249764  0.230389  0.664149  1
  Fe  Fe29  1  0.749764  0.570283  0.710899  1
  Fe  Fe30  1  0.749764  0.122136  0.648633  1
  Fe  Fe31  1  0.249764  0.507198  0.632858  1
  Fe  Fe32  1  0.249764  0.951809  0.694413  1
  P  P33  1  0.489017  0.838046  0.327273  1
  P  P34  1  0.492326  0.394890  0.265998  1
  P  P35  1  0.749764  0.761560  0.281967  1
  P  P36  1  0.749764  0.205764  0.345864  1
  P  P37  1  0.987585  0.063741  0.359632  1
  P  P38  1  0.988825  0.616530  0.296881  1
  P  P39  1  0.249764  0.195300  0.343509  1
  P  P40  1  0.249764  0.748204  0.280086  1
  P  P41  1  0.511944  0.063741  0.359632  1
  P  P42  1  0.510704  0.616530  0.296881  1
  P  P43  1  0.010512  0.838046  0.327273  1
  P  P44  1  0.007203  0.394890  0.265998  1
  P  P45  1  0.249764  0.251228  0.278139  1
  P  P46  1  0.249764  0.696395  0.341529  1
  P  P47  1  0.749764  0.706786  0.342595  1
  P  P48  1  0.749764  0.260549  0.280023  1
  P  P49  1  0.490332  0.116108  0.296754  1
  P  P50  1  0.487391  0.561390  0.359370  1
  P  P51  1  0.749764  0.038630  0.252471  1
  P  P52  1  0.749764  0.482362  0.315388  1
  P  P53  1  0.988263  0.898538  0.266051  1
  P  P54  1  0.988134  0.339633  0.328041  1
  P  P55  1  0.249764  0.029504  0.251384  1
  P  P56  1  0.249764  0.471287  0.313366  1
  P  P57  1  0.511266  0.898538  0.266051  1
  P  P58  1  0.511395  0.339633  0.328041  1
  P  P59  1  0.009197  0.116108  0.296754  1
  P  P60  1  0.012138  0.561390  0.359370  1
  P  P61  1  0.249764  0.975190  0.310882  1
  P  P62  1  0.249764  0.418274  0.373407  1
  P  P63  1  0.749764  0.985276  0.312314  1
  P  P64  1  0.749764  0.429340  0.375085  1
  P  P65  1  0.487557  0.728601  0.452731  1
  P  P66  1  0.487137  0.283505  0.390427  1
  P  P67  1  0.749764  0.650875  0.407602  1
  P  P68  1  0.749764  0.095855  0.470377  1
  P  P69  1  0.987606  0.953496  0.484433  1
  P  P70  1  0.987668  0.508742  0.422026  1
  P  P71  1  0.249764  0.085050  0.468796  1
  P  P72  1  0.249764  0.640479  0.406191  1
  P  P73  1  0.511923  0.953496  0.484433  1
  P  P74  1  0.511861  0.508742  0.422026  1
  P  P75  1  0.011972  0.728601  0.452731  1
  P  P76  1  0.012392  0.283505  0.390427  1
  P  P77  1  0.249764  0.141622  0.404696  1
  P  P78  1  0.249764  0.586560  0.467138  1
  P  P79  1  0.749764  0.597272  0.468631  1
  P  P80  1  0.749764  0.152179  0.406425  1
  P  P81  1  0.487475  0.006007  0.421578  1
  P  P82  1  0.487535  0.451231  0.484240  1
  P  P83  1  0.749764  0.928122  0.376289  1
  P  P84  1  0.749764  0.373333  0.439123  1
  P  P85  1  0.987336  0.785808  0.390317  1
  P  P86  1  0.987675  0.231263  0.453434  1
  P  P87  1  0.249764  0.917009  0.374641  1
  P  P88  1  0.249764  0.362664  0.437579  1
  P  P89  1  0.512193  0.785808  0.390317  1
  P  P90  1  0.511854  0.231263  0.453434  1
  P  P91  1  0.012054  0.006007  0.421578  1
  P  P92  1  0.011994  0.451231  0.484240  1
  P  P93  1  0.249764  0.863733  0.435630  1
  P  P94  1  0.249764  0.309256  0.498580  1
  P  P95  1  0.749764  0.874499  0.437165  1
  P  P96  1  0.749764  0.319910  0.500105  1
  P  P97  1  0.487668  0.618725  0.577958  1
  P  P98  1  0.487606  0.173971  0.515551  1
  P  P99  1  0.749764  0.540907  0.532846  1
  P  P100  1  0.749764  0.985846  0.595288  1
  P  P101  1  0.987137  0.843962  0.609557  1
  P  P102  1  0.987557  0.398867  0.547253  1
  P  P103  1  0.249764  0.975289  0.593559  1
  P  P104  1  0.249764  0.530196  0.531353  1
  P  P105  1  0.512392  0.843962  0.609557  1
  P  P106  1  0.511972  0.398867  0.547253  1
  P  P107  1  0.011861  0.618725  0.577958  1
  P  P108  1  0.011923  0.173971  0.515551  1
  P  P109  1  0.249764  0.031613  0.529607  1
  P  P110  1  0.249764  0.476593  0.592382  1
  P  P111  1  0.749764  0.486989  0.593793  1
  P  P112  1  0.749764  0.042418  0.531188  1
  P  P113  1  0.487675  0.896205  0.546550  1
  P  P114  1  0.487336  0.341660  0.609667  1
  P  P115  1  0.749764  0.818211  0.501405  1
  P  P116  1  0.749764  0.263735  0.564354  1
  P  P117  1  0.987535  0.676237  0.515745  1
  P  P118  1  0.987475  0.121461  0.578406  1
  P  P119  1  0.249764  0.807557  0.499879  1
  P  P120  1  0.249764  0.252968  0.562820  1
  P  P121  1  0.511994  0.676237  0.515745  1
  P  P122  1  0.512054  0.121461  0.578406  1
  P  P123  1  0.011854  0.896205  0.546550  1
  P  P124  1  0.012193  0.341660  0.609667  1
  P  P125  1  0.249764  0.754134  0.560861  1
  P  P126  1  0.249764  0.199346  0.623696  1
  P  P127  1  0.749764  0.764804  0.562406  1
  P  P128  1  0.749764  0.210458  0.625343  1
  P  P129  1  0.488825  0.510937  0.703103  1
  P  P130  1  0.487585  0.063726  0.640352  1
  P  P131  1  0.749764  0.431073  0.658455  1
  P  P132  1  0.749764  0.876240  0.721845  1
  P  P133  1  0.992326  0.732577  0.733986  1
  P  P134  1  0.989017  0.289422  0.672711  1
  P  P135  1  0.249764  0.866918  0.719961  1
  P  P136  1  0.249764  0.420682  0.657390  1
  P  P137  1  0.507203  0.732577  0.733986  1
  P  P138  1  0.510512  0.289422  0.672711  1
  P  P139  1  0.010704  0.510937  0.703103  1
  P  P140  1  0.011944  0.063726  0.640352  1
  P  P141  1  0.249764  0.921703  0.654120  1
  P  P142  1  0.249764  0.365907  0.718017  1
  P  P143  1  0.749764  0.379264  0.719898  1
  P  P144  1  0.749764  0.932168  0.656475  1
  P  P145  1  0.488134  0.787834  0.671943  1
  P  P146  1  0.488263  0.228930  0.733933  1
  P  P147  1  0.749764  0.709194  0.626577  1
  P  P148  1  0.749764  0.152278  0.689102  1
  P  P149  1  0.987391  0.566078  0.640614  1
  P  P150  1  0.990332  0.011359  0.703230  1
  P  P151  1  0.249764  0.698127  0.624899  1
  P  P152  1  0.249764  0.142192  0.687670  1
  P  P153  1  0.512138  0.566078  0.640614  1
  P  P154  1  0.509197  0.011359  0.703230  1
  P  P155  1  0.011395  0.787834  0.671943  1
  P  P156  1  0.011266  0.228930  0.733933  1
  P  P157  1  0.249764  0.645105  0.684596  1
  P  P158  1  0.249764  0.088838  0.747513  1
  P  P159  1  0.749764  0.656181  0.686618  1
  P  P160  1  0.749764  0.097964  0.748601  1
