data_[Sb2As4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5340]
_cell_length_b [3.6671]
_cell_length_c [7.3036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SbAs2Br]
_chemical_formula_sum '[Sb2 As4 Br2]'
_cell_volume [299.7476]
_cell_formula_units_Z [2]
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  0.1628  0.0000  0.7699  1
  As  As1  2  0.0904  0.0000  0.0793  1
  As  As2  2  0.2465  0.5000  0.1106  1
  Br  Br3  2  0.0003  0.5000  0.5402  1
]