data_[K2As1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.9100]
_cell_length_b [7.9213]
_cell_length_c [8.0169]
_cell_angle_alpha [60.5590]
_cell_angle_beta [89.2490]
_cell_angle_gamma [61.6560]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2AsAuBr6]
_chemical_formula_sum '[K2 As1 Au1 Br6]'
_cell_volume [368.7711]
_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  0.0924  0.9589  0.0132  1.0
  K  K1  1  0.6494  0.9098  0.5718  1.0
  As  As2  1  0.9610  0.3579  0.3307  1.0
  Au  Au3  1  0.2660  0.3528  0.7841  1.0
  Br  Br4  1  0.2047  0.9146  0.6282  1.0
  Br  Br5  1  0.2591  0.4515  0.4449  1.0
  Br  Br6  1  0.2807  0.2073  0.1327  1.0
  Br  Br7  1  0.7504  0.2798  0.1863  1.0
  Br  Br8  1  0.7538  0.4455  0.5469  1.0
  Br  Br9  1  0.7673  0.7986  0.0228  1.0
]