data_[Cs12Cd4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6355]
_cell_length_b [14.2717]
_cell_length_c [12.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3CdHg2]
_chemical_formula_sum '[Cs12 Cd4 Hg8]'
_cell_volume [1295.6586]
_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
[
  Cs  Cs0  4  0.2136  0.5543  0.9024  1
  Cs  Cs1  4  0.2731  0.6056  0.5166  1
  Cs  Cs2  4  0.3325  0.2245  0.1766  1
  Cd  Cd3  4  0.0910  0.6913  0.1793  1
  Hg  Hg4  4  0.1531  0.1348  0.8706  1
  Hg  Hg5  4  0.3167  0.5076  0.2298  1
]