data_[K9Tl12Sn3Br24]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2532]
_cell_length_b [9.2532]
_cell_length_c [24.0912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Tl4SnBr8]
_chemical_formula_sum '[K9 Tl12 Sn3 Br24]'
_cell_volume [1786.3580]
_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  9  0.0000  0.5000  0.0000  1
  Tl  Tl1  9  0.0000  0.5000  0.5000  1
  Tl  Tl2  3  -0.0000  -0.0000  0.5000  1
  Sn  Sn3  3  -0.0000  -0.0000  0.0000  1
  Br  Br4  18  0.0185  0.5092  0.7431  1
  Br  Br5  6  0.0000  0.0000  0.2521  1
]