data_[Sn1Hg7Pb12]
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 [P-1]
_cell_length_a [8.2401]
_cell_length_b [9.0799]
_cell_length_c [9.2619]
_cell_angle_alpha [69.4924]
_cell_angle_beta [67.7667]
_cell_angle_gamma [85.6044]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnHg7Pb12]
_chemical_formula_sum '[Sn1 Hg7 Pb12]'
_cell_volume [599.5471]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.0090  0.1391  0.5595  1
  Hg  Hg2  2  0.2171  0.8207  0.7627  1
  Hg  Hg3  2  0.2835  0.2272  0.6889  1
  Hg  Hg4  1  0.0000  0.5000  0.5000  1
  Pb  Pb5  2  0.0526  0.5710  0.1298  1
  Pb  Pb6  2  0.2358  0.2480  0.0659  1
  Pb  Pb7  2  0.3299  0.6303  0.5189  1
  Pb  Pb8  2  0.3400  0.8451  0.1071  1
  Pb  Pb9  2  0.3857  0.0414  0.3581  1
  Pb  Pb10  2  0.4398  0.4566  0.2107  1
]