data_[Si2Hg2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8045]
_cell_length_b [7.3879]
_cell_length_c [6.5441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SiHgCl3]
_chemical_formula_sum '[Si2 Hg2 Cl6]'
_cell_volume [377.3249]
_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
[
  Si  Si0  2  0.0000  0.3414  0.2276  1
  Hg  Hg1  2  0.0000  0.6987  0.1312  1
  Cl  Cl2  4  0.2145  0.2097  0.1110  1
  Cl  Cl3  2  0.0000  0.2941  0.5414  1
]