data_[Sb4Br12]
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 [P2_12_12_1]
_cell_length_a [4.7706]
_cell_length_b [11.6076]
_cell_length_c [13.3869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SbBr3]
_chemical_formula_sum '[Sb4 Br12]'
_cell_volume [741.2948]
_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  0.2466  0.5429  0.5365  1.0
  Br  Br1  4  0.0118  0.0233  0.1295  1.0
  Br  Br2  4  0.0248  0.8832  0.8746  1.0
  Br  Br3  4  0.0346  0.2079  0.8831  1.0
]