data_[Hg2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.1713]
_cell_length_b [6.8247]
_cell_length_c [17.3027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [HgCl2]
_chemical_formula_sum '[Hg2 Cl4]'
_cell_volume [846.8274]
_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
[
  Hg  Hg0  2  0.1828  0.4264  0.0100  1
  Cl  Cl1  2  0.2773  0.8100  0.0665  1
  Cl  Cl2  1  0.0000  0.8514  0.0000  1
  Cl  Cl3  1  0.5000  0.2743  0.0000  1
]