data_[Hg2I2Cl2]
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 [P-1]
_cell_length_a [4.4074]
_cell_length_b [7.2202]
_cell_length_c [8.2041]
_cell_angle_alpha [105.5074]
_cell_angle_beta [100.2246]
_cell_angle_gamma [92.3141]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgICl]
_chemical_formula_sum '[Hg2 I2 Cl2]'
_cell_volume [246.5058]
_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  0.2180  0.4664  0.2302  1
  I  I1  2  0.3828  0.7741  0.6900  1
  Cl  Cl2  2  0.1001  0.2924  0.8320  1
]