data_[Cs4K6Tl2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4968]
_cell_length_b [4.6730]
_cell_length_c [9.4239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K3TlCl6]
_chemical_formula_sum '[Cs4 K6 Tl2 Cl12]'
_cell_volume [876.6918]
_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  0.1658  0.0000  0.3304  1.0
  K  K1  4  0.1653  0.0000  0.8356  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  4  0.0055  0.0000  0.7508  1.0
  Cl  Cl5  4  0.1598  0.5000  0.5988  1.0
  Cl  Cl6  4  0.1671  0.5000  0.0648  1.0
]