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 [7.0001]
_cell_length_b [7.0001]
_cell_length_c [8.3524]
_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 [354.4436]
_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  0.1546  0.3093  0.2177  1
  Bi  Bi1  1  0.0000  0.0000  0.5703  1
  Pb  Pb2  3  0.0027  0.5013  0.5275  1
  Pb  Pb3  3  0.3391  0.1696  0.8953  1
  Pb  Pb4  1  0.3333  0.6667  0.8929  1
]