data_[Li2In4Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  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 [7.5342]
_cell_length_b [8.0141]
_cell_length_c [13.1895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiIn2BiBr6]
_chemical_formula_sum '[Li2 In4 Bi2 Br12]'
_cell_volume [656.8492]
_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
[
  Li  Li0  2  0.5000  0.0000  0.0000  1
  In  In1  4  0.2791  0.0843  0.2518  1
  Bi  Bi2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.1565  0.0194  0.7566  1
  Br  Br4  4  0.2408  0.6948  0.5467  1
  Br  Br5  4  0.3609  0.1983  0.5480  1
]