data_[K4Tl2Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6117]
_cell_length_b [7.9694]
_cell_length_c [13.2698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2TlAgBr6]
_chemical_formula_sum '[K4 Tl2 Ag2 Br12]'
_cell_volume [662.6700]
_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  4  0.2769  0.0780  0.2512  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1552  0.0160  0.7505  1.0
  Br  Br4  4  0.2433  0.6989  0.5458  1.0
  Br  Br5  4  0.3490  0.1972  0.5476  1.0
]