data_[K6Tl4In8]
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 [13.1422]
_cell_length_b [5.4153]
_cell_length_c [10.2930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(TlIn2)2]
_chemical_formula_sum '[K6 Tl4 In8]'
_cell_volume [671.5932]
_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  0.1125  0.5000  0.3572  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2084  0.5000  0.7392  1.0
  In  In3  4  0.0867  0.0000  0.6474  1.0
  In  In4  4  0.2084  0.5000  0.0541  1.0
]