data_[Rb12Hg8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1246]
_cell_length_b [12.4743]
_cell_length_c [16.9606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Rb3Hg2Au3]
_chemical_formula_sum '[Rb12 Hg8 Au12]'
_cell_volume [1084.2245]
_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  0.0000  0.0917  0.6073  1.0
  Rb  Rb1  4  0.0000  0.3804  0.7500  1.0
  Hg  Hg2  8  0.0000  0.2048  0.0909  1.0
  Au  Au3  8  0.0000  0.3951  0.5360  1.0
  Au  Au4  4  0.0000  0.3170  0.2500  1.0
]