# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89126908
_cell_length_b   10.06905432
_cell_length_c   7.89945416
_cell_angle_alpha   91.19086031
_cell_angle_beta   89.99924224
_cell_angle_gamma   89.31967114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4S5
_chemical_formula_sum   'Fe8 S10'
_cell_volume   627.49197430
_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  0.09664700  0.99619100  0.29274200  1.0
  Fe  Fe1  1  0.20466600  0.99488500  0.59543400  1.0
  Fe  Fe2  1  0.29401300  0.00440700  0.90047800  1.0
  Fe  Fe3  1  0.40179500  0.00580300  0.20311600  1.0
  Fe  Fe4  1  0.90301600  0.99631700  0.70699700  1.0
  Fe  Fe5  1  0.79473800  0.99489300  0.40401400  1.0
  Fe  Fe6  1  0.70605200  0.00437400  0.09995000  1.0
  Fe  Fe7  1  0.59798700  0.00558400  0.79734200  1.0
  S  S8  1  0.99767700  0.11850600  0.50293200  1.0
  S  S9  1  0.20111100  0.12536100  0.10811000  1.0
  S  S10  1  0.29794100  0.87617800  0.38621300  1.0
  S  S11  1  0.39116800  0.12295400  0.70421700  1.0
  S  S12  1  0.50197500  0.88177100  0.99694000  1.0
  S  S13  1  0.89346700  0.87356900  0.20301600  1.0
  S  S14  1  0.79504200  0.12511500  0.89885900  1.0
  S  S15  1  0.70541800  0.87618000  0.60712500  1.0
  S  S16  1  0.60544800  0.12388100  0.30143800  1.0
  S  S17  1  0.10983700  0.87403100  0.79107700  1.0