data_[Sn6Hg8Pb16]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1381]
_cell_length_b [12.5322]
_cell_length_c [6.4760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn3(HgPb2)4]
_chemical_formula_sum '[Sn6 Hg8 Pb16]'
_cell_volume [932.0744]
_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  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.2500  0.2500  0.0000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb5  4  0.0000  0.2452  0.5000  1.0
  Pb  Pb6  4  0.0000  0.3600  0.0000  1.0
  Pb  Pb7  4  0.2477  0.0000  0.4906  1.0
  Pb  Pb8  4  0.2490  0.5000  0.0099  1.0
]