data_[Sn4Sb2Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3132]
_cell_length_b [7.7269]
_cell_length_c [12.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sn2SbPb6]
_chemical_formula_sum '[Sn4 Sb2 Pb12]'
_cell_volume [586.5014]
_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  0.1937  0.6365  0.2193  1
  Sb  Sb1  2  0.5000  0.0000  0.5000  1
  Pb  Pb2  4  0.0685  0.7078  0.9230  1
  Pb  Pb3  4  0.2548  0.1435  0.9248  1
  Pb  Pb4  4  0.3504  0.0120  0.2101  1
]