data_[K6Tl2In4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7640]
_cell_length_b [4.7624]
_cell_length_c [9.5257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tl(InBr3)2]
_chemical_formula_sum '[K6 Tl2 In4 Br12]'
_cell_volume [916.7094]
_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  0.1668  0.0000  0.8329  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.0000  1.0
  In  In3  4  0.1668  0.0000  0.3331  1.0
  Br  Br4  4  0.0009  0.0000  0.7465  1.0
  Br  Br5  4  0.1664  0.5000  0.5844  1.0
  Br  Br6  4  0.1680  0.5000  0.0816  1.0
]