data_[Co4S4Cl4]
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 [C2/m]
_cell_length_a [13.8297]
_cell_length_b [3.2637]
_cell_length_c [5.9469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoSCl]
_chemical_formula_sum '[Co4 S4 Cl4]'
_cell_volume [245.2504]
_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  4  0.2485  0.5000  0.7379  1.0
  S  S1  4  0.1616  0.0000  0.4919  1.0
  Cl  Cl2  4  0.1444  0.5000  0.9740  1.0
]