data_[K2Tl6Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [7.3921]
_cell_length_b [8.1717]
_cell_length_c [12.8970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K(TlCl2)3]
_chemical_formula_sum '[K2 Tl6 Cl12]'
_cell_volume [654.3456]
_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
[
  K  K0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.2110  0.5665  0.2345  1
  Tl  Tl2  2  0.5000  0.0000  0.5000  1
  Cl  Cl3  4  0.1652  0.6680  0.9642  1
  Cl  Cl4  4  0.2612  0.2324  0.9248  1
  Cl  Cl5  4  0.3885  0.5615  0.7714  1
]