data_[Sn4Hg2Cl8]
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 [P1]
_cell_length_a [7.9750]
_cell_length_b [8.7388]
_cell_length_c [9.2339]
_cell_angle_alpha [64.8013]
_cell_angle_beta [64.4773]
_cell_angle_gamma [89.7749]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn2HgCl4]
_chemical_formula_sum '[Sn4 Hg2 Cl8]'
_cell_volume [512.6115]
_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  1  0.2871  0.5963  0.8143  1.0
  Sn  Sn1  1  0.4424  0.6794  0.2085  1.0
  Sn  Sn2  1  0.5018  0.2138  0.1914  1.0
  Sn  Sn3  1  0.9061  0.7036  0.6328  1.0
  Hg  Hg4  1  0.8144  0.1160  0.4104  1.0
  Hg  Hg5  1  0.8288  0.0116  0.0180  1.0
  Cl  Cl6  1  0.1115  0.4650  0.6664  1.0
  Cl  Cl7  1  0.1372  0.8806  0.6722  1.0
  Cl  Cl8  1  0.1542  0.8481  0.2714  1.0
  Cl  Cl9  1  0.2333  0.3906  0.2815  1.0
  Cl  Cl10  1  0.4940  0.8171  0.8770  1.0
  Cl  Cl11  1  0.5188  0.3251  0.8822  1.0
  Cl  Cl12  1  0.5716  0.7136  0.5029  1.0
  Cl  Cl13  1  0.7487  0.4893  0.0711  1.0
]