data_[Al4Bi2Br16]
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 [C2/m]
_cell_length_a [13.0099]
_cell_length_b [9.8499]
_cell_length_c [7.7319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2BiBr8]
_chemical_formula_sum '[Al4 Bi2 Br16]'
_cell_volume [988.8317]
_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  4  0.2076  0.0000  0.6879  1
  Bi  Bi1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1101  0.1892  0.7872  1
  Br  Br3  4  0.1319  0.5000  0.1772  1
  Br  Br4  4  0.2014  0.0000  0.3917  1
]