# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81333814
_cell_length_b   11.84212899
_cell_length_c   50.02602973
_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   'Fe16 P64'
_cell_volume   4036.32165251
_cell_formula_units_Z   16
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  1.000250  0.143170  0.347075  1
  Fe  Fe2  1  0.500250  0.480347  0.374245  1
  Fe  Fe3  1  0.500250  0.481231  0.294412  1
  Fe  Fe4  1  1.000250  0.814951  0.320356  1
  Fe  Fe5  1  1.000250  0.470866  0.458585  1
  Fe  Fe6  1  0.500250  0.807413  0.485776  1
  Fe  Fe7  1  0.500250  0.807386  0.403115  1
  Fe  Fe8  1  1.000250  0.144213  0.430178  1
  Fe  Fe9  1  1.000250  0.797813  0.569846  1
  Fe  Fe10  1  0.500250  0.134640  0.596909  1
  Fe  Fe11  1  0.500250  0.134613  0.514248  1
  Fe  Fe12  1  1.000250  0.471160  0.541440  1
  Fe  Fe13  1  1.000250  0.127075  0.679669  1
  Fe  Fe14  1  0.500250  0.460795  0.705612  1
  Fe  Fe15  1  0.500250  0.461679  0.625779  1
  Fe  Fe16  1  1.000250  0.798856  0.652949  1
  P  P17  1  0.500250  0.809119  0.359358  1
  P  P18  1  0.257224  0.054152  0.362140  1
  P  P19  1  0.500250  0.305156  0.360075  1
  P  P20  1  0.254253  0.905870  0.304367  1
  P  P21  1  0.500250  0.150418  0.307714  1
  P  P22  1  0.500250  0.658111  0.305343  1
  P  P23  1  0.746248  0.905870  0.304367  1
  P  P24  1  0.743277  0.054152  0.362140  1
  P  P25  1  1.000250  0.142809  0.303330  1
  P  P26  1  0.758691  0.389838  0.307326  1
  P  P27  1  1.000250  0.644349  0.302505  1
  P  P28  1  0.757218  0.570558  0.359488  1
  P  P29  1  1.000250  0.813962  0.363670  1
  P  P30  1  1.000250  0.316722  0.362144  1
  P  P31  1  0.243282  0.570558  0.359488  1
  P  P32  1  0.241810  0.389838  0.307326  1
  P  P33  1  0.500250  0.137054  0.470533  1
  P  P34  1  0.256797  0.381225  0.473504  1
  P  P35  1  0.500250  0.633205  0.471223  1
  P  P36  1  0.256787  0.233713  0.415237  1
  P  P37  1  0.500250  0.477724  0.418026  1
  P  P38  1  0.500250  0.981532  0.417578  1
  P  P39  1  0.743713  0.233713  0.415237  1
  P  P40  1  0.743704  0.381225  0.473504  1
  P  P41  1  1.000250  0.473672  0.414853  1
  P  P42  1  0.756125  0.717216  0.418125  1
  P  P43  1  1.000250  0.970398  0.415599  1
  P  P44  1  0.756598  0.897342  0.470859  1
  P  P45  1  1.000250  0.141377  0.473886  1
  P  P46  1  1.000250  0.644744  0.473342  1
  P  P47  1  0.243902  0.897342  0.470859  1
  P  P48  1  0.244375  0.717216  0.418125  1
  P  P49  1  0.500250  0.464302  0.581999  1
  P  P50  1  0.256787  0.708314  0.584787  1
  P  P51  1  0.500250  0.960494  0.582447  1
  P  P52  1  0.256797  0.560802  0.526520  1
  P  P53  1  0.500250  0.804972  0.529491  1
  P  P54  1  0.500250  0.308821  0.528801  1
  P  P55  1  0.743704  0.560802  0.526520  1
  P  P56  1  0.743713  0.708314  0.584787  1
  P  P57  1  1.000250  0.800649  0.526139  1
  P  P58  1  0.756598  0.044684  0.529165  1
  P  P59  1  1.000250  0.297282  0.526682  1
  P  P60  1  0.756125  0.224810  0.581899  1
  P  P61  1  1.000250  0.468354  0.585171  1
  P  P62  1  1.000250  0.971628  0.584426  1
  P  P63  1  0.244375  0.224810  0.581899  1
  P  P64  1  0.243902  0.044684  0.529165  1
  P  P65  1  0.500250  0.791608  0.692311  1
  P  P66  1  0.254253  0.036157  0.695657  1
  P  P67  1  0.500250  0.283915  0.694681  1
  P  P68  1  0.257224  0.887875  0.637884  1
  P  P69  1  0.500250  0.132908  0.640666  1
  P  P70  1  0.500250  0.636870  0.639949  1
  P  P71  1  0.743277  0.887875  0.637884  1
  P  P72  1  0.746248  0.036157  0.695657  1
  P  P73  1  1.000250  0.128064  0.636354  1
  P  P74  1  0.757218  0.371469  0.640536  1
  P  P75  1  1.000250  0.625304  0.637880  1
  P  P76  1  0.758691  0.552188  0.692698  1
  P  P77  1  1.000250  0.799217  0.696694  1
  P  P78  1  1.000250  0.297677  0.697519  1
  P  P79  1  0.241810  0.552188  0.692698  1
  P  P80  1  0.243282  0.371469  0.640536  1
