data_[Hg4I2Cl6]
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 [4.3256]
_cell_length_b [9.7309]
_cell_length_c [11.3947]
_cell_angle_alpha [79.6843]
_cell_angle_beta [84.5898]
_cell_angle_gamma [78.3964]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg2ICl3]
_chemical_formula_sum '[Hg4 I2 Cl6]'
_cell_volume [461.3799]
_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  0.2607  0.6136  0.1253  1
  Hg  Hg1  2  0.2751  0.1152  0.6332  1
  I  I2  2  0.1253  0.4648  0.6927  1
  Cl  Cl3  2  0.0864  0.9442  0.2091  1
  Cl  Cl4  2  0.3690  0.8233  0.5276  1
  Cl  Cl5  2  0.4042  0.3110  0.0398  1
]