data_[Sb6Br6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.6555]
_cell_length_b [3.9379]
_cell_length_c [8.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SbBr]
_chemical_formula_sum '[Sb6 Br6]'
_cell_volume [477.8124]
_cell_formula_units_Z [6]
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  2  0.0303  0.0000  0.6282  1
  Sb  Sb1  2  0.0766  0.5000  0.3903  1
  Sb  Sb2  2  0.1774  0.5000  0.8057  1
  Br  Br3  2  0.1547  0.0000  0.0637  1
  Br  Br4  2  0.3096  0.0000  0.7114  1
  Br  Br5  2  0.4179  0.0000  0.2340  1
]