data_[Sn3Hg1Pb7]
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 [P3m1]
_cell_length_a [7.0572]
_cell_length_b [7.0572]
_cell_length_c [8.0591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sn3HgPb7]
_chemical_formula_sum '[Sn3 Hg1 Pb7]'
_cell_volume [347.6081]
_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  3  0.0310  0.5155  0.7774  1
  Hg  Hg1  1  0.3333  0.6667  0.4339  1
  Pb  Pb2  3  0.1632  0.3265  0.1086  1
  Pb  Pb3  3  0.3282  0.1641  0.4727  1
  Pb  Pb4  1  0.6667  0.3333  0.1050  1
]