data_[Na2Ga4Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3849]
_cell_length_b [8.1138]
_cell_length_c [13.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaGa2BiBr6]
_chemical_formula_sum '[Na2 Ga4 Bi2 Br12]'
_cell_volume [657.5500]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0000  1.0
  Ga  Ga1  4  0.2874  0.0760  0.2578  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0982  0.0544  0.7449  1.0
  Br  Br4  4  0.2367  0.6920  0.5731  1.0
  Br  Br5  4  0.3863  0.1769  0.5610  1.0
]