data_[Ti4Sb4S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  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 [13.7062]
_cell_length_b [3.4335]
_cell_length_c [9.5567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiSbS2Cl]
_chemical_formula_sum '[Ti4 Sb4 S8 Cl4]'
_cell_volume [449.7034]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  2  0.0000  0.0000  0.5000  1
  Sb  Sb2  4  0.1911  0.5000  0.7090  1
  S  S3  4  0.0402  0.0000  0.7527  1
  S  S4  4  0.1284  0.5000  0.4642  1
  Cl  Cl5  4  0.1274  0.5000  0.0383  1
]