data_[K4Tl6In2Cl12]
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 [19.9618]
_cell_length_b [4.5762]
_cell_length_c [9.1642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl3InCl6]
_chemical_formula_sum '[K4 Tl6 In2 Cl12]'
_cell_volume [814.8528]
_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  4  0.1670  0.0000  0.3327  1.0
  Tl  Tl1  4  0.1668  0.0000  0.8315  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  4  0.0034  0.0000  0.2497  1.0
  Cl  Cl5  4  0.1672  0.5000  0.0893  1.0
  Cl  Cl6  4  0.1687  0.5000  0.5784  1.0
]