data_[K4Rb12Au12]
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 [C2/m]
_cell_length_a [11.8711]
_cell_length_b [12.5951]
_cell_length_c [8.1695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb3Au3]
_chemical_formula_sum '[K4 Rb12 Au12]'
_cell_volume [1220.2346]
_cell_formula_units_Z [4]
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  4  0.0000  0.1802  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2515  0.0000  1.0
  Rb  Rb2  4  0.2009  0.5000  0.5766  1.0
  K  K3  4  0.2395  0.0000  0.9122  1.0
  Au  Au4  8  0.2407  0.2697  0.3131  1.0
  Au  Au5  4  0.0354  0.0000  0.1796  1.0
]