data_[Zn2Cd4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [17.4073]
_cell_length_b [5.3948]
_cell_length_c [6.4461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(CdHg4)2]
_chemical_formula_sum '[Zn2 Cd4 Hg16]'
_cell_volume [570.9798]
_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
[
  Zn  Zn0  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd1  4  0.1693  0.0000  0.7170  1.0
  Hg  Hg2  4  0.0005  0.0000  0.7592  1.0
  Hg  Hg3  4  0.0911  0.5000  0.4628  1.0
  Hg  Hg4  4  0.1561  0.5000  0.9931  1.0
  Hg  Hg5  4  0.2075  0.0000  0.2879  1.0
]