# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02884437
_cell_length_b   16.26873082
_cell_length_c   52.72350453
_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   'Fe24 P96'
_cell_volume   5171.20812153
_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  0.206792  0.583165  0.332455  1
  Fe  Fe2  1  0.872173  0.082840  0.338402  1
  Fe  Fe3  1  0.863307  0.891183  0.280849  1
  Fe  Fe4  1  0.205371  0.396467  0.271329  1
  Fe  Fe5  1  0.035193  0.738611  0.304878  1
  Fe  Fe6  1  0.072793  0.251498  0.248613  1
  Fe  Fe7  1  0.226752  0.584197  0.458840  1
  Fe  Fe8  1  0.880820  0.084262  0.465965  1
  Fe  Fe9  1  0.874722  0.895097  0.402653  1
  Fe  Fe10  1  0.218377  0.394970  0.395669  1
  Fe  Fe11  1  0.050201  0.739456  0.430831  1
  Fe  Fe12  1  0.044572  0.238949  0.367249  1
  Fe  Fe13  1  0.240853  0.584194  0.585468  1
  Fe  Fe14  1  0.895839  0.084491  0.592677  1
  Fe  Fe15  1  0.888050  0.895111  0.529364  1
  Fe  Fe16  1  0.233979  0.394999  0.522204  1
  Fe  Fe17  1  0.064681  0.739782  0.557366  1
  Fe  Fe18  1  0.057317  0.239557  0.494099  1
  Fe  Fe19  1  0.254537  0.586870  0.707356  1
  Fe  Fe20  1  0.905993  0.079497  0.716475  1
  Fe  Fe21  1  0.906182  0.895740  0.655631  1
  Fe  Fe22  1  0.245038  0.396092  0.649496  1
  Fe  Fe23  1  0.078166  0.740092  0.683307  1
  Fe  Fe24  1  0.070736  0.239694  0.621062  1
  P  P25  1  0.528301  0.488529  0.333172  1
  P  P26  1  0.552624  0.988305  0.338616  1
  P  P27  1  0.569145  0.985240  0.274825  1
  P  P28  1  0.524734  0.488166  0.270084  1
  P  P29  1  0.033837  0.492142  0.301455  1
  P  P30  1  0.040057  -0.008549  0.369889  1
  P  P31  1  0.222151  0.153079  0.335910  1
  P  P32  1  0.855699  0.651710  0.335454  1
  P  P33  1  0.844914  0.324060  0.272093  1
  P  P34  1  0.200777  0.826244  0.271725  1
  P  P35  1  0.381619  0.318072  0.237294  1
  P  P36  1  0.677409  0.816166  0.307867  1
  P  P37  1  0.700918  0.157913  0.369564  1
  P  P38  1  0.370479  0.657458  0.301684  1
  P  P39  1  0.205479  0.152258  0.272807  1
  P  P40  1  0.865918  0.658964  0.271410  1
  P  P41  1  0.887269  0.321333  0.334826  1
  P  P42  1  0.189510  0.820754  0.337500  1
  P  P43  1  0.344388  0.653696  0.241930  1
  P  P44  1  0.719417  0.155749  0.305005  1
  P  P45  1  0.717879  0.821125  0.369802  1
  P  P46  1  0.364771  0.322260  0.303934  1
  P  P47  1  0.039079  0.483489  0.239164  1
  P  P48  1  0.046774  0.985865  0.306562  1
  P  P49  1  0.545796  0.488423  0.459359  1
  P  P50  1  0.561801  0.988572  0.465527  1
  P  P51  1  0.556198  -0.009185  0.402121  1
  P  P52  1  0.538545  0.490445  0.396232  1
  P  P53  1  0.055300  0.491849  0.428042  1
  P  P54  1  0.051761  -0.008010  0.496853  1
  P  P55  1  0.232622  0.152945  0.462992  1
  P  P56  1  0.874956  0.652887  0.461846  1
  P  P57  1  0.868082  0.325439  0.398584  1
  P  P58  1  0.226121  0.826359  0.400048  1
  P  P59  1  0.389583  0.319761  0.365455  1
  P  P60  1  0.705272  0.820552  0.433641  1
  P  P61  1  0.711773  0.158850  0.496792  1
  P  P62  1  0.396211  0.658880  0.428128  1
  P  P63  1  0.199956  0.156217  0.399774  1
  P  P64  1  0.894562  0.656695  0.398266  1
  P  P65  1  0.901234  0.322461  0.461601  1
  P  P66  1  0.205470  0.822506  0.463455  1
  P  P67  1  0.365608  0.657180  0.365682  1
  P  P68  1  0.726070  0.157918  0.432736  1
  P  P69  1  0.732639  0.821338  0.496236  1
  P  P70  1  0.373841  0.321054  0.428918  1
  P  P71  1  0.046369  0.486246  0.364775  1
  P  P72  1  0.045308  0.987461  0.433481  1
  P  P73  1  0.559469  0.488355  0.585945  1
  P  P74  1  0.576532  0.988680  0.591989  1
  P  P75  1  0.568913  -0.009166  0.528834  1
  P  P76  1  0.553212  0.490685  0.522611  1
  P  P77  1  0.069923  0.491819  0.554658  1
  P  P78  1  0.068322  -0.007167  0.623432  1
  P  P79  1  0.246617  0.153509  0.589788  1
  P  P80  1  0.888994  0.652853  0.588174  1
  P  P81  1  0.882085  0.326256  0.525188  1
  P  P82  1  0.239795  0.826420  0.526367  1
  P  P83  1  0.402744  0.320311  0.491428  1
  P  P84  1  0.718678  0.820381  0.560082  1
  P  P85  1  0.724543  0.159261  0.623118  1
  P  P86  1  0.409863  0.658773  0.554538  1
  P  P87  1  0.212973  0.156751  0.526657  1
  P  P88  1  0.909406  0.656779  0.524747  1
  P  P89  1  0.915505  0.322797  0.588277  1
  P  P90  1  0.220051  0.822587  0.589944  1
  P  P91  1  0.382095  0.657944  0.491971  1
  P  P92  1  0.740377  0.158111  0.559430  1
  P  P93  1  0.748576  0.821780  0.622545  1
  P  P94  1  0.388893  0.321226  0.555381  1
  P  P95  1  0.063056  0.487257  0.491326  1
  P  P96  1  0.059289  0.987491  0.560181  1
  P  P97  1  0.553272  0.491741  0.712879  1
  P  P98  1  0.577097  -0.007202  0.717982  1
  P  P99  1  0.585719  -0.009177  0.654974  1
  P  P100  1  0.563973  0.491054  0.649300  1
  P  P101  1  0.071487  0.492339  0.681638  1
  P  P102  1  0.065842  -0.006400  0.748916  1
  P  P103  1  0.246616  0.158492  0.717681  1
  P  P104  1  0.914022  0.652316  0.716367  1
  P  P105  1  0.893543  0.326623  0.651675  1
  P  P106  1  0.257903  0.827330  0.652809  1
  P  P107  1  0.414286  0.320916  0.618352  1
  P  P108  1  0.742137  0.822029  0.686514  1
  P  P109  1  0.752451  0.164207  0.747856  1
  P  P110  1  0.437380  0.662713  0.680372  1
  P  P111  1  0.225169  0.157666  0.653880  1
  P  P112  1  0.925446  0.657986  0.650806  1
  P  P113  1  0.916452  0.325142  0.712896  1
  P  P114  1  0.245332  0.819557  0.716788  1
  P  P115  1  0.396943  0.658169  0.618385  1
  P  P116  1  0.745326  0.158237  0.685063  1
  P  P117  1  0.762392  0.825106  0.745979  1
  P  P118  1  0.400859  0.323093  0.682593  1
  P  P119  1  0.076210  0.487816  0.618169  1
  P  P120  1  0.077524  0.987023  0.686646  1
