data_[K2Tl1Au1Br6]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4219]
_cell_length_b [7.6580]
_cell_length_c [8.1638]
_cell_angle_alpha [95.0181]
_cell_angle_beta [115.4368]
_cell_angle_gamma [114.8956]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2TlAuBr6]
_chemical_formula_sum '[K2 Tl1 Au1 Br6]'
_cell_volume [359.1228]
_cell_formula_units_Z [1]
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  1  0.9095  0.3768  0.4745  1.0
  K  K1  1  0.9423  0.8884  0.9666  1.0
  Tl  Tl2  1  0.3576  0.0365  0.6731  1.0
  Au  Au3  1  0.3543  0.5324  0.1757  1.0
  Br  Br4  1  0.2224  0.7296  0.3037  1.0
  Br  Br5  1  0.3051  0.2784  0.4441  1.0
  Br  Br6  1  0.4010  0.7762  0.8877  1.0
  Br  Br7  1  0.4698  0.3158  0.0511  1.0
  Br  Br8  1  0.8348  0.2594  0.8385  1.0
  Br  Br9  1  0.8800  0.8217  0.5233  1.0
]