data_[K6Rb2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.8545]
_cell_length_b [4.8061]
_cell_length_c [13.7532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [K3RbAu]
_chemical_formula_sum '[K6 Rb2 Au2]'
_cell_volume [584.5023]
_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  1  0.0051  0.5000  0.6346  1.0
  K  K1  1  0.2361  0.0000  0.4258  1.0
  Rb  Rb2  1  0.2407  0.0000  0.8932  1.0
  Rb  Rb3  1  0.4903  0.5000  0.1881  1.0
  K  K4  1  0.5066  0.5000  0.6588  1.0
  K  K5  1  0.7360  0.0000  0.4482  1.0
  K  K6  1  0.7734  0.5000  0.9036  1.0
  K  K7  1  0.9633  0.0000  0.1814  1.0
  Au  Au8  1  0.7731  0.0000  0.7170  1.0
  Au  Au9  1  0.9709  0.5000  0.3678  1.0
]