data_[Gd2Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2440]
_cell_length_b [12.5715]
_cell_length_c [7.0738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [GdBiBr6]
_chemical_formula_sum '[Gd2 Bi2 Br12]'
_cell_volume [602.8199]
_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
[
  Gd  Gd0  2  0.0000  0.1664  0.0000  1
  Bi  Bi1  2  0.0000  0.8337  0.0000  1
  Br  Br2  4  0.2357  0.1748  0.7535  1
  Br  Br3  4  0.2358  0.0028  0.2457  1
  Br  Br4  4  0.2439  0.8224  0.7535  1
]