data_[Hg6As2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6152]
_cell_length_b [8.4528]
_cell_length_c [8.4826]
_cell_angle_alpha [110.6468]
_cell_angle_beta [115.6860]
_cell_angle_gamma [99.9545]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3AsCl2]
_chemical_formula_sum '[Hg6 As2 Cl4]'
_cell_volume [424.7321]
_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  0.1004  0.4307  0.2348  1
  Hg  Hg1  2  0.2317  0.0552  0.9644  1
  Hg  Hg2  2  0.4022  0.3761  0.6884  1
  As  As3  2  0.1692  0.1617  0.2742  1
  Cl  Cl4  2  0.0415  0.7029  0.2374  1
  Cl  Cl5  2  0.4417  0.7722  0.0086  1
]