data_[Zn2Hg2Cl4]
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 [Cm]
_cell_length_a [13.0522]
_cell_length_b [3.4384]
_cell_length_c [6.2363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnHgCl2]
_chemical_formula_sum '[Zn2 Hg2 Cl4]'
_cell_volume [254.4163]
_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  0.3467  0.0000  0.6543  1
  Hg  Hg1  2  0.0123  0.5000  0.5016  1
  Cl  Cl2  2  0.2280  0.5000  0.3983  1
  Cl  Cl3  2  0.4130  0.5000  0.9458  1
]