data_[Fe8S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.8979]
_cell_length_b [10.1064]
_cell_length_c [7.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Fe4S5]
_chemical_formula_sum '[Fe8 S10]'
_cell_volume [630.5344]
_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  4  0.0939  0.1242  0.2044  1.0
  Fe  Fe1  4  0.2084  0.1257  0.9031  1.0
  S  S2  4  0.1140  0.0026  0.7023  1.0
  S  S3  4  0.2042  0.2536  0.3892  1.0
  S  S4  2  0.0000  0.2501  0.0000  1.0
]