data_[K4Tl6Ag2Br12]
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 [C2/m]
_cell_length_a [8.0605]
_cell_length_b [13.7480]
_cell_length_c [8.1542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl3AgBr6]
_chemical_formula_sum '[K4 Tl6 Ag2 Br12]'
_cell_volume [851.5694]
_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  0.0000  0.3358  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1704  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  8  0.2221  0.1503  0.2222  1.0
  Br  Br5  4  0.2339  0.0000  0.7498  1.0
]