data_[K2Tl2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2732]
_cell_length_b [8.3402]
_cell_length_c [5.8902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTlBr3]
_chemical_formula_sum '[K2 Tl2 Br6]'
_cell_volume [406.0438]
_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  2  0.0366  0.0000  0.8777  1.0
  Tl  Tl1  2  0.4984  0.0000  0.5248  1.0
  Br  Br2  4  0.2527  0.2598  0.5596  1.0
  Br  Br3  2  0.4732  0.0000  0.0365  1.0
]