data_[K7Rb1Au3]
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 [P3m1]
_cell_length_a [9.4631]
_cell_length_b [9.4631]
_cell_length_c [7.9096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [K7RbAu3]
_chemical_formula_sum '[K7 Rb1 Au3]'
_cell_volume [613.4076]
_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  3  0.1687  0.3373  0.0218  1.0
  K  K1  3  0.5010  0.0021  0.5412  1.0
  Rb  Rb2  1  0.0000  0.0000  0.5306  1.0
  K  K3  1  0.6667  0.3333  0.0311  1.0
  Au  Au4  3  0.3379  0.1689  0.7881  1.0
]