data_[Li2Tl4Sb2Br12]
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
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5851]
_cell_length_b [7.9444]
_cell_length_c [13.2352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTl2SbBr6]
_chemical_formula_sum '[Li2 Tl4 Sb2 Br12]'
_cell_volume [654.9567]
_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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2265  0.5754  0.7496  1.0
  Sb  Sb2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1528  0.7014  0.4555  1.0
  Br  Br4  4  0.2601  0.2016  0.4581  1.0
  Br  Br5  4  0.3349  0.5139  0.2464  1.0
]