data_[Sn2Te6Pb2]
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 [P2_1/m]
_cell_length_a [7.6481]
_cell_length_b [5.1077]
_cell_length_c [10.9702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnTe3Pb]
_chemical_formula_sum '[Sn2 Te6 Pb2]'
_cell_volume [419.6985]
_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  2  0.0978  0.7500  0.1392  1
  Te  Te1  2  0.0652  0.2500  0.6528  1
  Te  Te2  2  0.2315  0.2500  0.0612  1
  Te  Te3  2  0.4663  0.7500  0.3187  1
  Pb  Pb4  2  0.2998  0.7500  0.5626  1
]