data_[Rb12Cd12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3267]
_cell_length_b [12.7499]
_cell_length_c [18.1031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Rb3Cd3Hg2]
_chemical_formula_sum '[Rb12 Cd12 Hg8]'
_cell_volume [1229.4852]
_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  0.0884  0.6079  1.0
  Rb  Rb1  4  0.0000  0.3857  0.7500  1.0
  Cd  Cd2  8  0.0000  0.3796  0.5332  1.0
  Cd  Cd3  4  0.0000  0.3142  0.2500  1.0
  Hg  Hg4  8  0.0000  0.2087  0.0962  1.0
]