data_[Rb12In12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4295]
_cell_length_b [17.0980]
_cell_length_c [6.9794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb3In3Au2]
_chemical_formula_sum '[Rb12 In12 Au8]'
_cell_volume [1125.2530]
_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  8  0.0361  0.6119  0.6024  1
  Rb  Rb1  4  0.2071  0.7500  0.0708  1
  In  In2  8  0.1665  0.5350  0.1149  1
  In  In3  4  0.1556  0.2500  0.0431  1
  Au  Au4  8  0.1177  0.1003  0.8772  1
]