data_[Sb1Br11]
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 [P-1]
_cell_length_a [8.0359]
_cell_length_b [8.1634]
_cell_length_c [8.4933]
_cell_angle_alpha [90.6606]
_cell_angle_beta [115.2347]
_cell_angle_gamma [91.4947]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbBr11]
_chemical_formula_sum '[Sb1 Br11]'
_cell_volume [503.6622]
_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  0.0785  0.1977  0.5633  1.0
  Br  Br2  2  0.2290  0.5242  0.3626  1.0
  Br  Br3  2  0.2662  0.5830  0.8233  1.0
  Br  Br4  2  0.3258  0.9478  0.2282  1.0
  Br  Br5  2  0.4750  0.8195  0.7938  1.0
  Br  Br6  1  0.0000  0.0000  0.0000  1.0
]