data_[Sn2Hg2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9817]
_cell_length_b [9.8623]
_cell_length_c [4.0507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SnHgCl3]
_chemical_formula_sum '[Sn2 Hg2 Cl6]'
_cell_volume [317.0522]
_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
[
  Sn  Sn0  2  0.1116  0.0000  0.8466  1
  Hg  Hg1  2  0.2499  0.5000  0.8439  1
  Cl  Cl2  4  0.1099  0.1869  0.4011  1
  Cl  Cl3  2  0.4283  0.0000  0.9470  1
]