data_[Al2Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8648]
_cell_length_b [7.8767]
_cell_length_c [9.8098]
_cell_angle_alpha [102.4468]
_cell_angle_beta [104.3658]
_cell_angle_gamma [98.8316]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlBiBr6]
_chemical_formula_sum '[Al2 Bi2 Br12]'
_cell_volume [560.9336]
_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
[
  Al  Al0  2  0.3156  0.7133  0.1528  1
  Bi  Bi1  2  0.1947  0.5176  0.7048  1
  Br  Br2  2  0.0674  0.3013  0.4092  1
  Br  Br3  2  0.1487  0.8057  0.3045  1
  Br  Br4  2  0.2462  0.4147  0.0407  1
  Br  Br5  2  0.2627  0.8494  0.9612  1
  Br  Br6  2  0.3818  0.1954  0.7093  1
  Br  Br7  2  0.4528  0.7009  0.6405  1
]