data_[Cs4Li2Tl6Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3968]
_cell_length_b [14.8232]
_cell_length_c [8.2343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li(TlBr2)3]
_chemical_formula_sum '[Cs4 Li2 Tl6 Br12]'
_cell_volume [959.5065]
_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
[
  Cs  Cs0  4  0.0000  0.3310  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1561  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Br  Br4  8  0.2060  0.1327  0.2238  1
  Br  Br5  4  0.2263  0.0000  0.7314  1
]