data_[Cs4Cd4Hg12]
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 [Pnma]
_cell_length_a [9.7911]
_cell_length_b [5.6156]
_cell_length_c [12.5377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsCdHg3]
_chemical_formula_sum '[Cs4 Cd4 Hg12]'
_cell_volume [689.3659]
_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  0.1866  0.2500  0.0063  1
  Cd  Cd1  4  0.0762  0.2500  0.3670  1
  Hg  Hg2  4  0.0659  0.2500  0.6069  1
  Hg  Hg3  4  0.1370  0.7500  0.7963  1
  Hg  Hg4  4  0.1500  0.7500  0.2167  1
]