data_[Sn6Bi4Pb16]
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 [C2/m]
_cell_length_a [11.7357]
_cell_length_b [6.5831]
_cell_length_c [11.0827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn3(BiPb4)2]
_chemical_formula_sum '[Sn6 Bi4 Pb16]'
_cell_volume [835.1301]
_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  0.2466  0.0000  1.0
  Sn  Sn1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  4  0.1199  0.5000  0.6083  1.0
  Pb  Pb3  8  0.1272  0.2586  0.3066  1.0
  Pb  Pb4  4  0.1299  0.0000  0.7899  1.0
  Pb  Pb5  4  0.2251  0.5000  0.9110  1.0
]