data_[K2Y1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.8658]
_cell_length_b [8.1995]
_cell_length_c [8.4739]
_cell_angle_alpha [94.6320]
_cell_angle_beta [114.9822]
_cell_angle_gamma [118.3495]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2YAuBr6]
_chemical_formula_sum '[K2 Y1 Au1 Br6]'
_cell_volume [407.9768]
_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  0.8945  0.4445  0.3774  1.0
  K  K1  1  0.9605  0.9666  0.9550  1.0
  Y  Y2  1  0.3327  0.6694  0.0242  1.0
  Au  Au3  1  0.6357  0.4082  0.7537  1.0
  Br  Br4  1  0.1875  0.8337  0.7665  1.0
  Br  Br5  1  0.1876  0.7679  0.2324  1.0
  Br  Br6  1  0.4175  0.5485  0.7297  1.0
  Br  Br7  1  0.4196  0.4177  0.1891  1.0
  Br  Br8  1  0.7731  0.9926  0.2313  1.0
  Br  Br9  1  0.8679  0.2893  0.7559  1.0
]