data_[K2Tl4In4Cl12]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9846]
_cell_length_b [7.9556]
_cell_length_c [9.1888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTl2(InCl3)2]
_chemical_formula_sum '[K2 Tl4 In4 Cl12]'
_cell_volume [775.2474]
_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  0.5000  0.5000  1
  Tl  Tl1  4  0.1966  0.5000  0.1437  1
  In  In2  4  0.0540  0.0000  0.1852  1
  Cl  Cl3  8  0.0875  0.2452  0.8002  1
  Cl  Cl4  4  0.2274  0.0000  0.4847  1
]