data_[Rb4Cd4Hg12]
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 [Pnma]
_cell_length_a [9.2628]
_cell_length_b [5.4963]
_cell_length_c [13.0596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbCdHg3]
_chemical_formula_sum '[Rb4 Cd4 Hg12]'
_cell_volume [664.8870]
_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  4  0.1953  0.2500  0.9959  1.0
  Cd  Cd1  4  0.0790  0.2500  0.6286  1.0
  Hg  Hg2  4  0.0694  0.2500  0.3947  1.0
  Hg  Hg3  4  0.1194  0.7500  0.1928  1.0
  Hg  Hg4  4  0.1323  0.7500  0.7987  1.0
]