data_[K1Au1Br2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5525]
_cell_length_b [7.3273]
_cell_length_c [9.5769]
_cell_angle_alpha [108.8230]
_cell_angle_beta [92.9940]
_cell_angle_gamma [104.2817]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KAu(BrCl3)2]
_chemical_formula_sum '[K1 Au1 Br2 Cl6]'
_cell_volume [353.6878]
_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  0.5000  0.0000  0.0000  1.0
  Au  Au1  1  0.5000  0.5000  0.5000  1.0
  Br  Br2  2  0.2026  0.2652  0.8189  1.0
  Cl  Cl3  2  0.0960  0.2848  0.0496  1.0
  Cl  Cl4  2  0.2826  0.6875  0.6617  1.0
  Cl  Cl5  2  0.3180  0.2112  0.5524  1.0
]