data_[Cs8Cd4Hg8]
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 [C2/m]
_cell_length_a [14.2053]
_cell_length_b [5.3433]
_cell_length_c [13.6887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2CdHg2]
_chemical_formula_sum '[Cs8 Cd4 Hg8]'
_cell_volume [918.4719]
_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  0.0001  0.5000  0.6602  1.0
  Cs  Cs1  4  0.1970  0.5000  0.1126  1.0
  Cd  Cd2  4  0.2134  0.0000  0.3534  1.0
  Hg  Hg3  4  0.0002  0.0000  0.8838  1.0
  Hg  Hg4  4  0.1719  0.0000  0.5629  1.0
]