data_[Sb1I1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8359]
_cell_length_b [7.5655]
_cell_length_c [7.9187]
_cell_angle_alpha [113.0751]
_cell_angle_beta [107.3919]
_cell_angle_gamma [101.8444]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbICl6]
_chemical_formula_sum '[Sb1 I1 Cl6]'
_cell_volume [334.4207]
_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
[
  Sb  Sb0  1  0.0000  0.0000  0.0000  1.0
  I  I1  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  2  0.1149  0.6859  0.8839  1.0
  Cl  Cl3  2  0.1194  0.1095  0.7925  1.0
  Cl  Cl4  2  0.3589  0.1919  0.2677  1.0
]