data_[K6Tl8Ag2Br16]
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 [16.3235]
_cell_length_b [9.3016]
_cell_length_c [9.4270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tl4AgBr8]
_chemical_formula_sum '[K6 Tl8 Ag2 Br16]'
_cell_volume [1178.7841]
_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  0.2500  0.2500  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  2  0.0000  0.0000  0.5000  1.0
  Br  Br6  8  0.0017  0.2249  0.2799  1.0
  Br  Br7  4  0.2449  0.5000  0.2496  1.0
  Br  Br8  4  0.2477  0.5000  0.7429  1.0
]