data_[Sn12Hg2Pb4]
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 [Amm2]
_cell_length_a [4.4304]
_cell_length_b [16.0860]
_cell_length_c [7.5188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sn6HgPb2]
_chemical_formula_sum '[Sn12 Hg2 Pb4]'
_cell_volume [535.8513]
_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  0.0000  0.1055  0.8544  1
  Sn  Sn1  4  0.5000  0.1867  0.1444  1
  Sn  Sn2  2  0.0000  0.0000  0.3485  1
  Sn  Sn3  2  0.5000  0.0000  0.6412  1
  Hg  Hg4  2  0.5000  0.0000  0.0795  1
  Pb  Pb5  4  0.0000  0.1907  0.4667  1
]