data_[K6Tl3In3Br18]
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 [R3]
_cell_length_a [8.0803]
_cell_length_b [8.0803]
_cell_length_c [20.6461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TlInBr6]
_chemical_formula_sum '[K6 Tl3 In3 Br18]'
_cell_volume [1167.4066]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4664  1.0
  K  K1  3  0.0000  0.0000  0.9770  1.0
  Tl  Tl2  3  0.0000  0.0000  0.1856  1.0
  In  In3  3  0.0000  0.0000  0.6766  1.0
  Br  Br4  9  0.0312  0.4118  0.4157  1.0
  Br  Br5  9  0.0793  0.6986  0.2621  1.0
]