data_[K2Rb6Tl4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4492]
_cell_length_b [14.6358]
_cell_length_c [8.4238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb3(TlBr3)2]
_chemical_formula_sum '[K2 Rb6 Tl4 Br12]'
_cell_volume [981.7374]
_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
[
  Rb  Rb0  4  0.0000  0.1685  0.5000  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.0000  0.3341  0.0000  1.0
  Br  Br4  8  0.2455  0.8348  0.2406  1.0
  Br  Br5  4  0.2498  0.0000  0.7580  1.0
]