data_[K3Tl3Ag6Br18]
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 [R3]
_cell_length_a [7.4110]
_cell_length_b [7.4110]
_cell_length_c [20.4268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KTl(AgBr3)2]
_chemical_formula_sum '[K3 Tl3 Ag6 Br18]'
_cell_volume [971.6023]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1925  1.0
  Tl  Tl1  3  0.0000  0.0000  0.6737  1.0
  Ag  Ag2  3  0.0000  0.0000  0.0012  1.0
  Ag  Ag3  3  0.0000  0.0000  0.4846  1.0
  Br  Br4  9  0.0003  0.3377  0.0774  1.0
  Br  Br5  9  0.0115  0.6033  0.2512  1.0
]