data_[Sn6Te16Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7096]
_cell_length_b [12.7755]
_cell_length_c [8.9579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn3(Te2Pb)4]
_chemical_formula_sum '[Sn6 Te16 Pb8]'
_cell_volume [1037.4172]
_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  0.2500  0.2500  0.0000  1
  Sn  Sn1  2  0.0000  0.0000  0.5000  1
  Te  Te2  4  0.0000  0.2464  0.5000  1
  Te  Te3  4  0.0000  0.2552  0.0000  1
  Te  Te4  4  0.2481  0.5000  0.0090  1
  Te  Te5  4  0.2499  0.0000  0.5100  1
  Pb  Pb6  4  0.2500  0.2500  0.5000  1
  Pb  Pb7  2  0.0000  0.0000  0.0000  1
  Pb  Pb8  2  0.0000  0.5000  0.5000  1
]