data_[Cd16Ni2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6429]
_cell_length_b [4.7594]
_cell_length_c [5.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8NiHg2]
_chemical_formula_sum '[Cd16 Ni2 Hg4]'
_cell_volume [488.0533]
_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
[
  Cd  Cd0  4  0.0431  0.0000  0.2543  1
  Cd  Cd1  4  0.0725  0.5000  0.6182  1
  Cd  Cd2  4  0.1431  0.5000  0.1663  1
  Cd  Cd3  4  0.2469  0.0000  0.3224  1
  Ni  Ni4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.1626  0.0000  0.7896  1
]