data_[Li2Tl4Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  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 [7.6109]
_cell_length_b [8.0072]
_cell_length_c [13.2915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTl2BiBr6]
_chemical_formula_sum '[Li2 Tl4 Bi2 Br12]'
_cell_volume [666.5425]
_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  1.0
  Tl  Tl1  4  0.2759  0.0778  0.2512  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1614  0.0169  0.7561  1.0
  Br  Br4  4  0.2422  0.6967  0.5446  1.0
  Br  Br5  4  0.3554  0.2010  0.5467  1.0
]