data_[Sb4Br4Cl8]
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 [Cm]
_cell_length_a [7.0902]
_cell_length_b [12.1016]
_cell_length_c [7.0437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SbBrCl2]
_chemical_formula_sum '[Sb4 Br4 Cl8]'
_cell_volume [603.2037]
_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  0.1914  0.3335  0.5212  1
  Br  Br1  4  0.0248  0.1740  0.7589  1
  Cl  Cl2  4  0.3598  0.8130  0.3043  1
  Cl  Cl3  2  0.0631  0.5000  0.7330  1
  Cl  Cl4  2  0.3077  0.5000  0.3033  1
]