data_[Co1S2Cl6]
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 [3.8016]
_cell_length_b [7.8010]
_cell_length_c [8.7743]
_cell_angle_alpha [103.9870]
_cell_angle_beta [100.1812]
_cell_angle_gamma [93.1383]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Co(SCl3)2]
_chemical_formula_sum '[Co1 S2 Cl6]'
_cell_volume [247.2205]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  S  S1  2  0.0517  0.2894  0.2916  1.0
  Cl  Cl2  2  0.1903  0.9488  0.6976  1.0
  Cl  Cl3  2  0.2367  0.6796  0.9193  1.0
  Cl  Cl4  2  0.4583  0.3660  0.6127  1.0
]