data_[Cs2K6Tl4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  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 [21.1683]
_cell_length_b [4.8335]
_cell_length_c [9.7301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK3(TlBr3)2]
_chemical_formula_sum '[Cs2 K6 Tl4 Br12]'
_cell_volume [967.1281]
_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  2  0.0000  0.5000  0.0000  1.0
  K  K1  4  0.1666  0.0000  0.8288  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.1690  0.0000  0.3348  1.0
  Br  Br4  4  0.0013  0.0000  0.7307  1.0
  Br  Br5  4  0.1671  0.5000  0.5831  1.0
  Br  Br6  4  0.1735  0.5000  0.0827  1.0
]