data_[Li2Tl2Cu2Br6]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9645]
_cell_length_b [4.0712]
_cell_length_c [9.5543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlCuBr3]
_chemical_formula_sum '[Li2 Tl2 Cu2 Br6]'
_cell_volume [335.0108]
_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  0.3520  0.7500  0.8742  1.0
  Tl  Tl1  2  0.1963  0.2500  0.2186  1.0
  Cu  Cu2  2  0.0661  0.2500  0.5802  1.0
  Br  Br3  2  0.1238  0.2500  0.8523  1.0
  Br  Br4  2  0.2181  0.7500  0.5339  1.0
  Br  Br5  2  0.4578  0.7500  0.1592  1.0
]