data_[Rb12Cd8Hg12]
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 [5.2738]
_cell_length_b [13.0809]
_cell_length_c [17.9852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Rb3Cd2Hg3]
_chemical_formula_sum '[Rb12 Cd8 Hg12]'
_cell_volume [1240.7216]
_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  0.0797  0.6066  1.0
  Rb  Rb1  4  0.0000  0.3759  0.7500  1.0
  Cd  Cd2  8  0.0000  0.2161  0.0923  1.0
  Hg  Hg3  8  0.0000  0.3790  0.5384  1.0
  Hg  Hg4  4  0.0000  0.3274  0.2500  1.0
]