data_[Co32Ru4S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8603]
_cell_length_b [9.8603]
_cell_length_c [9.8603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Co8RuS8]
_chemical_formula_sum '[Co32 Ru4 S32]'
_cell_volume [958.6780]
_cell_formula_units_Z [4]
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
[
  Co  Co0  32  0.1260  0.1260  0.1260  1.0
  Ru  Ru1  4  0.0000  0.0000  0.5000  1.0
  S  S2  24  0.0000  0.0000  0.2596  1.0
  S  S3  8  0.2500  0.2500  0.2500  1.0
]