data_[Sb4S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [12.9078]
_cell_length_b [3.7998]
_cell_length_c [7.4771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbSCl]
_chemical_formula_sum '[Sb4 S4 Cl4]'
_cell_volume [345.3016]
_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
[
  Sb  Sb0  4  0.1221  0.0000  0.8317  1.0
  S  S1  4  0.2440  0.0000  0.1926  1.0
  Cl  Cl2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  2  0.0000  0.5000  0.5000  1.0
]