data_[K21Rb36Au3]
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 [R-3m]
_cell_length_a [25.5828]
_cell_length_b [25.5828]
_cell_length_c [8.5099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K7Rb12Au]
_chemical_formula_sum '[K21 Rb36 Au3]'
_cell_volume [4823.3800]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  18  -0.0000  0.4108  0.5000  1
  K  K1  18  0.0702  0.1404  0.8354  1
  Rb  Rb2  18  0.1023  0.5512  0.0131  1
  K  K3  3  0.0000  0.0000  0.5000  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]