data_[Rb16Hg4Au2]
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 [C2/m]
_cell_length_a [23.5306]
_cell_length_b [6.3040]
_cell_length_c [8.9689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb8Hg2Au]
_chemical_formula_sum '[Rb16 Hg4 Au2]'
_cell_volume [1274.7858]
_cell_formula_units_Z [2]
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  0.0299  0.0000  0.8055  1.0
  Rb  Rb1  4  0.0894  0.5000  0.4194  1.0
  Rb  Rb2  4  0.1582  0.5000  0.9642  1.0
  Rb  Rb3  4  0.2151  0.0000  0.3169  1.0
  Hg  Hg4  4  0.1800  0.0000  0.7098  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]