# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89536162
_cell_length_b   7.89536162
_cell_length_c   10.06905460
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4S5
_chemical_formula_sum   'Fe8 S10'
_cell_volume   627.67198941
_cell_formula_units_Z   2
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  Fe0  1  0.90266300  0.20535500  0.00380900  1
  Fe  Fe1  1  0.79464500  0.90266300  0.00380900  1
  Fe  Fe2  1  0.70529700  0.59762000  0.99559300  1
  Fe  Fe3  1  0.59762000  0.29470300  0.99559300  1
  Fe  Fe4  1  0.09733700  0.79464500  0.00380900  1
  Fe  Fe5  1  0.20535500  0.09733700  0.00380900  1
  Fe  Fe6  1  0.29470300  0.40238000  0.99559300  1
  Fe  Fe7  1  0.40238000  0.70529700  0.99559300  1
  S  S8  1  0.00000000  0.00000000  0.88149400  1
  S  S9  1  0.79819900  0.38998700  0.87463900  1
  S  S10  1  0.70136900  0.11188400  0.12382200  1
  S  S11  1  0.61001300  0.79819900  0.87463900  1
  S  S12  1  0.50000000  0.50000000  0.11822900  1
  S  S13  1  0.11188400  0.29863100  0.12382200  1
  S  S14  1  0.20180100  0.61001300  0.87463900  1
  S  S15  1  0.29863100  0.88811600  0.12382200  1
  S  S16  1  0.38998700  0.20180100  0.87463900  1
  S  S17  1  0.88811600  0.70136900  0.12382200  1
