# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25620099
_cell_length_b   17.23261214
_cell_length_c   54.31817172
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.38266860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe24 P96'
_cell_volume   5838.95562886
_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  0.312223  0.032692  0.339318  1
  Fe  Fe2  1  0.776399  0.471644  0.300674  1
  Fe  Fe3  1  0.699014  0.384800  0.371766  1
  Fe  Fe4  1  0.344204  0.805522  0.309941  1
  Fe  Fe5  1  0.512181  0.220975  0.357373  1
  Fe  Fe6  1  0.503874  0.717389  0.352288  1
  Fe  Fe7  1  0.158576  0.171924  0.451599  1
  Fe  Fe8  1  0.657623  0.617430  0.408148  1
  Fe  Fe9  1  0.553109  0.525676  0.482922  1
  Fe  Fe10  1  0.208965  0.948211  0.415347  1
  Fe  Fe11  1  0.365197  0.360934  0.469112  1
  Fe  Fe12  1  0.364195  0.848783  0.470175  1
  Fe  Fe13  1  0.012570  0.313502  0.563620  1
  Fe  Fe14  1  0.504523  0.760639  0.516769  1
  Fe  Fe15  1  0.401422  0.666682  0.594171  1
  Fe  Fe16  1  0.056790  0.087563  0.527472  1
  Fe  Fe17  1  0.218313  0.500892  0.580508  1
  Fe  Fe18  1  0.212536  0.988764  0.582065  1
  Fe  Fe19  1  0.880708  0.448311  0.674979  1
  Fe  Fe20  1  0.350160  0.899672  0.628296  1
  Fe  Fe21  1  0.268205  0.799436  0.700921  1
  Fe  Fe22  1  0.920914  0.225727  0.643136  1
  Fe  Fe23  1  0.079664  0.645294  0.688692  1
  Fe  Fe24  1  0.092394  0.137617  0.683945  1
  P  P25  1  0.986005  0.950195  0.344230  1
  P  P26  1  0.102530  0.409901  0.312083  1
  P  P27  1  0.023745  0.477780  0.368471  1
  P  P28  1  0.065507  0.881881  0.290172  1
  P  P29  1  0.416147  0.990268  0.379009  1
  P  P30  1  0.676264  0.369481  0.276237  1
  P  P31  1  0.475396  0.538929  0.283092  1
  P  P32  1  0.673468  0.103296  0.339423  1
  P  P33  1  0.694112  0.751978  0.314360  1
  P  P34  1  0.333332  0.325014  0.374780  1
  P  P35  1  0.156699  0.770708  0.342860  1
  P  P36  1  0.863090  0.287126  0.353105  1
  P  P37  1  0.821423  0.652844  0.370402  1
  P  P38  1  0.163445  0.139561  0.358237  1
  P  P39  1  0.384450  0.599855  0.337784  1
  P  P40  1  0.753430  0.034645  0.285359  1
  P  P41  1  0.625690  0.824086  0.373620  1
  P  P42  1  0.418402  0.255286  0.317951  1
  P  P43  1  0.248575  0.073523  0.300997  1
  P  P44  1  0.908173  0.585325  0.315773  1
  P  P45  1  0.918009  0.217737  0.299430  1
  P  P46  1  0.233682  0.706210  0.285407  1
  P  P47  1  0.495824  0.921694  0.322864  1
  P  P48  1  0.588025  0.433693  0.333900  1
  P  P49  1  0.836628  0.085650  0.455695  1
  P  P50  1  0.956416  0.549381  0.424207  1
  P  P51  1  0.878496  0.618598  0.479995  1
  P  P52  1  0.913847  0.017678  0.399769  1
  P  P53  1  0.264448  0.132748  0.491429  1
  P  P54  1  0.525531  0.501156  0.389126  1
  P  P55  1  0.317206  0.669452  0.392768  1
  P  P56  1  0.521594  0.242265  0.450617  1
  P  P57  1  0.549536  0.895850  0.430421  1
  P  P58  1  0.187434  0.466449  0.485854  1
  P  P59  1  0.038492  0.909296  0.452864  1
  P  P60  1  0.715611  0.426239  0.464940  1
  P  P61  1  0.690794  0.794583  0.481877  1
  P  P62  1  0.012465  0.279143  0.470373  1
  P  P63  1  0.243647  0.739297  0.449182  1
  P  P64  1  0.593872  0.171122  0.394898  1
  P  P65  1  0.473391  0.966129  0.486442  1
  P  P66  1  0.267798  0.394241  0.430200  1
  P  P67  1  0.084741  0.208731  0.413479  1
  P  P68  1  0.757652  0.728532  0.427097  1
  P  P69  1  0.780220  0.354629  0.410472  1
  P  P70  1  0.109681  0.837031  0.396662  1
  P  P71  1  0.340133  0.061841  0.435617  1
  P  P72  1  0.453649  0.574595  0.444433  1
  P  P73  1  0.689259  0.227589  0.567147  1
  P  P74  1  0.801505  0.689513  0.535591  1
  P  P75  1  0.727203  0.757877  0.591419  1
  P  P76  1  0.763233  0.157194  0.511438  1
  P  P77  1  0.120995  0.272628  0.603519  1
  P  P78  1  0.379824  0.641865  0.500058  1
  P  P79  1  0.160174  0.808439  0.505712  1
  P  P80  1  0.376357  0.382854  0.562508  1
  P  P81  1  0.397509  0.035110  0.542103  1
  P  P82  1  0.039047  0.607018  0.596992  1
  P  P83  1  0.886677  0.050618  0.564900  1
  P  P84  1  0.566623  0.566724  0.576415  1
  P  P85  1  0.541724  0.933533  0.593138  1
  P  P86  1  0.868071  0.420243  0.582563  1
  P  P87  1  0.088629  0.880198  0.561360  1
  P  P88  1  0.447818  0.312095  0.506587  1
  P  P89  1  0.330990  0.105497  0.597324  1
  P  P90  1  0.120244  0.535028  0.541470  1
  P  P91  1  0.939679  0.350328  0.525343  1
  P  P92  1  0.606422  0.867994  0.538192  1
  P  P93  1  0.631650  0.495483  0.521902  1
  P  P94  1  0.960364  0.977003  0.507976  1
  P  P95  1  0.190764  0.202755  0.547435  1
  P  P96  1  0.305138  0.715361  0.555534  1
  P  P97  1  0.545203  0.371631  0.677975  1
  P  P98  1  0.650964  0.828767  0.645958  1
  P  P99  1  0.583022  0.886833  0.702551  1
  P  P100  1  0.630946  0.299410  0.623570  1
  P  P101  1  0.968408  0.395142  0.714253  1
  P  P102  1  0.225715  0.782721  0.611798  1
  P  P103  1  0.010032  0.952499  0.618082  1
  P  P104  1  0.236110  0.523929  0.676368  1
  P  P105  1  0.283416  0.175890  0.651255  1
  P  P106  1  0.937391  0.744227  0.713093  1
  P  P107  1  0.741194  0.195270  0.681065  1
  P  P108  1  0.448849  0.701893  0.688198  1
  P  P109  1  0.370335  0.060759  0.703841  1
  P  P110  1  0.753365  0.557368  0.696834  1
  P  P111  1  0.928889  0.022056  0.674090  1
  P  P112  1  0.307146  0.453182  0.618592  1
  P  P113  1  0.223495  0.236910  0.708077  1
  P  P114  1  0.963117  0.676890  0.652421  1
  P  P115  1  0.802198  0.493237  0.637804  1
  P  P116  1  0.464181  0.005665  0.649109  1
  P  P117  1  0.476324  0.634898  0.633217  1
  P  P118  1  0.813931  0.121344  0.620837  1
  P  P119  1  0.056701  0.342391  0.658678  1
  P  P120  1  0.149277  0.858316  0.667773  1
