data_[Sn3Bi1Pb7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0279]
_cell_length_b [7.0279]
_cell_length_c [8.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sn3BiPb7]
_chemical_formula_sum '[Sn3 Bi1 Pb7]'
_cell_volume [363.5690]
_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  0.1530  0.8470  0.7814  1.0
  Bi  Bi1  1  0.0000  0.0000  0.4260  1.0
  Pb  Pb2  3  0.0001  0.5001  0.4718  1.0
  Pb  Pb3  3  0.3390  0.1695  0.1069  1.0
  Pb  Pb4  1  0.3333  0.6667  0.1090  1.0
]