data_[K6Tb3Tl3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1289]
_cell_length_b [8.1289]
_cell_length_c [21.1582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TbTlBr6]
_chemical_formula_sum '[K6 Tb3 Tl3 Br18]'
_cell_volume [1210.8147]
_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  0.0187  1.0
  K  K1  3  0.0000  0.0000  0.5297  1.0
  Tb  Tb2  3  0.0000  0.0000  0.3236  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8135  1.0
  Br  Br4  9  0.0186  0.7343  0.4069  1.0
  Br  Br5  9  0.0641  0.3561  0.9184  1.0
]