data_[K2Tl6Ag4Br12]
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 [7.9035]
_cell_length_b [13.3129]
_cell_length_c [8.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTl3(AgBr3)2]
_chemical_formula_sum '[K2 Tl6 Ag4 Br12]'
_cell_volume [799.6984]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1584  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.0000  0.3315  0.0000  1.0
  Br  Br4  8  0.2466  0.1823  0.2250  1.0
  Br  Br5  4  0.2053  0.5000  0.2070  1.0
]