data_[Zn2Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1953]
_cell_length_b [3.8475]
_cell_length_c [6.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnHgCl4]
_chemical_formula_sum '[Zn2 Hg2 Cl8]'
_cell_volume [322.7460]
_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  0.0000  0.0000  1
  Hg  Hg1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  4  0.1080  0.5000  0.2597  1
  Cl  Cl3  4  0.1123  0.0000  0.8107  1
]