data_[Sb1Br3Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2543]
_cell_length_b [7.7924]
_cell_length_c [8.1410]
_cell_angle_alpha [80.2867]
_cell_angle_beta [87.0212]
_cell_angle_gamma [72.2674]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbBr3Cl8]
_chemical_formula_sum '[Sb1 Br3 Cl8]'
_cell_volume [432.0461]
_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  0.5000  0.5000  1.0
  Br  Br1  2  0.3146  0.7655  0.1216  1.0
  Br  Br2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0830  0.4779  0.7837  1.0
  Cl  Cl4  2  0.1420  0.7561  0.4291  1.0
  Cl  Cl5  2  0.3075  0.2830  0.4586  1.0
  Cl  Cl6  2  0.4899  0.7549  0.8892  1.0
]