data_[Rb24Hg4Au8]
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 [Immm]
_cell_length_a [11.9158]
_cell_length_b [11.9909]
_cell_length_c [12.9486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Rb6HgAu2]
_chemical_formula_sum '[Rb24 Hg4 Au8]'
_cell_volume [1850.1119]
_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  0.2029  0.2333  1.0
  Rb  Rb1  8  0.1899  0.5000  0.1713  1.0
  Rb  Rb2  8  0.2119  0.6792  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  4  0.0000  0.3704  0.0000  1.0
  Au  Au6  4  0.0000  0.5000  0.3881  1.0
]