data_[Li4Bi12Br8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5528]
_cell_length_b [12.9665]
_cell_length_c [11.0702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiBi3(BrO2)2]
_chemical_formula_sum '[Li4 Bi12 Br8 O16]'
_cell_volume [797.0607]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.2169  0.7500  1.0
  Bi  Bi1  8  0.0000  0.3382  0.0078  1.0
  Bi  Bi2  4  0.0000  0.1494  0.2500  1.0
  Br  Br3  4  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.4927  0.7500  1.0
  O  O5  16  0.2466  0.2413  0.1236  1.0
]