data_[Co8Mo16S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8429]
_cell_length_b [6.4109]
_cell_length_c [12.3430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Co(MoS2)2]
_chemical_formula_sum '[Co8 Mo16 S32]'
_cell_volume [850.0205]
_cell_formula_units_Z [8]
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  8  0.2477  0.1243  0.7498  1
  Mo  Mo1  8  0.0898  0.1334  0.4892  1
  Mo  Mo2  8  0.0928  0.3803  0.9897  1
  S  S3  8  0.0329  0.1247  0.6502  1
  S  S4  8  0.0387  0.3777  0.1535  1
  S  S5  8  0.2364  0.1285  0.3810  1
  S  S6  8  0.2394  0.3753  0.8833  1
]