data_[Hg2I2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2890]
_cell_length_b [6.7319]
_cell_length_c [8.8435]
_cell_angle_alpha [89.4384]
_cell_angle_beta [88.0763]
_cell_angle_gamma [62.9707]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgICl2]
_chemical_formula_sum '[Hg2 I2 Cl4]'
_cell_volume [333.3188]
_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  1  0.5855  0.8600  0.0734  1.0
  Hg  Hg1  1  0.9301  0.2204  0.2710  1.0
  I  I2  1  0.5450  0.2399  0.6515  1.0
  I  I3  1  0.7457  0.5217  0.4925  1.0
  Cl  Cl4  1  0.0966  0.8618  0.1523  1.0
  Cl  Cl5  1  0.3828  0.9979  0.7732  1.0
  Cl  Cl6  1  0.4178  0.2114  0.1943  1.0
  Cl  Cl7  1  0.8026  0.4852  0.9974  1.0
]