data_[Li4Tl4Zn8Br24]
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
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0402]
_cell_length_b [14.0116]
_cell_length_c [7.5750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTl(ZnBr3)2]
_chemical_formula_sum '[Li4 Tl4 Zn8 Br24]'
_cell_volume [1402.0139]
_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  0.2183  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1234  0.2500  1.0
  Zn  Zn2  8  0.1939  0.4257  0.1928  1.0
  Br  Br3  8  0.1213  0.2731  0.0646  1.0
  Br  Br4  8  0.1213  0.0808  0.6971  1.0
  Br  Br5  8  0.1361  0.4417  0.4706  1.0
]