# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17086371
_cell_length_b   6.16472401
_cell_length_c   49.30380330
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.84226275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe42 P21'
_cell_volume   1626.89210075
_cell_formula_units_Z   21
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  0.566945  0.903474  0.296471  1
  Fe  Fe2  1  0.036812  0.592314  0.296482  1
  Fe  Fe3  1  0.347550  0.373518  0.296476  1
  Fe  Fe4  1  0.727197  0.694410  0.326855  1
  Fe  Fe5  1  0.978456  0.212945  0.326844  1
  Fe  Fe6  1  0.246028  0.962297  0.326809  1
  Fe  Fe7  1  0.605689  0.990114  0.356831  1
  Fe  Fe8  1  0.950260  0.544375  0.356840  1
  Fe  Fe9  1  0.395680  0.334712  0.356845  1
  Fe  Fe10  1  0.718477  0.687976  0.388791  1
  Fe  Fe11  1  0.980825  0.221682  0.388782  1
  Fe  Fe12  1  0.252542  0.960142  0.388806  1
  Fe  Fe13  1  0.576713  0.930856  0.420034  1
  Fe  Fe14  1  0.009243  0.574651  0.420030  1
  Fe  Fe15  1  0.365292  0.363360  0.420033  1
  Fe  Fe16  1  0.720807  0.688719  0.451129  1
  Fe  Fe17  1  0.979104  0.219206  0.451129  1
  Fe  Fe18  1  0.251958  0.961927  0.451127  1
  Fe  Fe19  1  0.577762  0.933850  0.482411  1
  Fe  Fe20  1  0.006277  0.572691  0.482411  1
  Fe  Fe21  1  0.367238  0.362281  0.482412  1
  Fe  Fe22  1  0.721290  0.688489  0.513634  1
  Fe  Fe23  1  0.978322  0.218669  0.513635  1
  Fe  Fe24  1  0.252252  0.962729  0.513634  1
  Fe  Fe25  1  0.577580  0.933279  0.544847  1
  Fe  Fe26  1  0.006824  0.573049  0.544847  1
  Fe  Fe27  1  0.366858  0.362480  0.544847  1
  Fe  Fe28  1  0.721171  0.688500  0.576132  1
  Fe  Fe29  1  0.978467  0.218782  0.576131  1
  Fe  Fe30  1  0.252225  0.962591  0.576134  1
  Fe  Fe31  1  0.577614  0.933404  0.607090  1
  Fe  Fe32  1  0.006707  0.572990  0.607091  1
  Fe  Fe33  1  0.366936  0.362398  0.607089  1
  Fe  Fe34  1  0.718961  0.686964  0.638672  1
  Fe  Fe35  1  0.979192  0.220980  0.638666  1
  Fe  Fe36  1  0.253679  0.961853  0.638674  1
  Fe  Fe37  1  0.571834  0.929359  0.669262  1
  Fe  Fe38  1  0.010862  0.571443  0.669267  1
  Fe  Fe39  1  0.368711  0.368205  0.669250  1
  Fe  Fe40  1  0.729972  0.699189  0.700537  1
  Fe  Fe41  1  0.980386  0.210029  0.700555  1
  Fe  Fe42  1  0.241328  0.960423  0.700544  1
  P  P43  1  0.317320  0.623593  0.328007  1
  P  P44  1  0.650778  0.290122  0.319521  1
  P  P45  1  0.983615  0.956118  0.289656  1
  P  P46  1  0.317118  0.623312  0.387700  1
  P  P47  1  0.650632  0.289773  0.389128  1
  P  P48  1  0.983769  0.956045  0.357760  1
  P  P49  1  0.317000  0.623168  0.451224  1
  P  P50  1  0.650788  0.289946  0.451157  1
  P  P51  1  0.983580  0.956039  0.419870  1
  P  P52  1  0.316991  0.623197  0.513650  1
  P  P53  1  0.650773  0.289946  0.513651  1
  P  P54  1  0.983623  0.956002  0.482383  1
  P  P55  1  0.316991  0.623196  0.576142  1
  P  P56  1  0.650776  0.289944  0.576105  1
  P  P57  1  0.983628  0.955988  0.544864  1
  P  P58  1  0.316985  0.623171  0.638933  1
  P  P59  1  0.650805  0.289914  0.638696  1
  P  P60  1  0.983604  0.955985  0.607383  1
  P  P61  1  0.317056  0.623234  0.705663  1
  P  P62  1  0.650782  0.289969  0.702569  1
  P  P63  1  0.983562  0.955979  0.669504  1
