data_[Cs2Cd2Hg22]
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 [6.3377]
_cell_length_b [15.6458]
_cell_length_c [8.5199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCdHg11]
_chemical_formula_sum '[Cs2 Cd2 Hg22]'
_cell_volume [791.6616]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  2  0.0000  0.5000  0.5000  1
  Hg  Hg2  8  0.1048  0.3911  0.2206  1
  Hg  Hg3  8  0.1833  0.1776  0.3584  1
  Hg  Hg4  4  0.2500  0.2500  0.0000  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
]