data_[Cs4K2Tl6Cl12]
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 [20.6238]
_cell_length_b [4.7280]
_cell_length_c [9.4587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K(TlCl2)3]
_chemical_formula_sum '[Cs4 K2 Tl6 Cl12]'
_cell_volume [901.1185]
_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  0.1668  0.0000  0.3241  1.0
  K  K1  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  4  0.1604  0.0000  0.8312  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  4  0.0052  0.0000  0.7587  1.0
  Cl  Cl5  4  0.1571  0.5000  0.0574  1.0
  Cl  Cl6  4  0.1598  0.5000  0.5876  1.0
]