data_[Cr2S12Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [9.3990]
_cell_length_b [13.3288]
_cell_length_c [3.7619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr(S3Cl)2]
_chemical_formula_sum '[Cr2 S12 Cl4]'
_cell_volume [471.0114]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.0000  1.0
  S  S1  8  0.1006  0.3757  0.1199  1.0
  S  S2  4  0.1972  0.5000  0.8909  1.0
  Cl  Cl3  4  0.0000  0.1182  0.5000  1.0
]