data_[Co2S6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.3688]
_cell_length_b [5.5578]
_cell_length_c [13.0102]
_cell_angle_alpha [93.4280]
_cell_angle_beta [97.0888]
_cell_angle_gamma [106.7576]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CoS3Cl]
_chemical_formula_sum '[Co2 S6 Cl2]'
_cell_volume [230.2981]
_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
[
  Co  Co0  2  0.0553  0.2757  0.2444  1
  S  S1  2  0.1147  0.6714  0.3072  1
  S  S2  2  0.2037  0.1445  0.7873  1
  S  S3  2  0.3682  0.6674  0.6454  1
  Cl  Cl4  2  0.4942  0.2705  0.1197  1
]