data_[Rb44Hg8Au4]
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 [Ibam]
_cell_length_a [13.4510]
_cell_length_b [17.2888]
_cell_length_c [18.3506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb11Hg2Au]
_chemical_formula_sum '[Rb44 Hg8 Au4]'
_cell_volume [4267.4616]
_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  16  0.1129  0.3020  0.1642  1
  Rb  Rb1  16  0.1922  0.4497  0.3722  1
  Rb  Rb2  8  0.1236  0.2185  0.5000  1
  Rb  Rb3  4  0.0000  0.0000  0.0000  1
  Hg  Hg4  8  0.1487  0.1745  0.0000  1
  Au  Au5  4  0.0000  0.5000  0.2500  1
]