data_[K4Tl12In2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8429]
_cell_length_b [7.2202]
_cell_length_c [6.7564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl6In]
_chemical_formula_sum '[K4 Tl12 In2]'
_cell_volume [626.3049]
_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  0.1669  0.5000  0.1534  1.0
  Tl  Tl1  8  0.0879  0.2675  0.6684  1.0
  Tl  Tl2  4  0.1769  0.0000  0.3351  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
]