data_[Ba8Sn4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4885]
_cell_length_b [5.1999]
_cell_length_c [12.6742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SnPb2]
_chemical_formula_sum '[Ba8 Sn4 Pb8]'
_cell_volume [787.4286]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.1018  0.0000  0.9096  1.0
  Ba  Ba1  4  0.2180  0.5000  0.6613  1.0
  Sn  Sn2  4  0.0204  0.5000  0.2924  1.0
  Pb  Pb3  4  0.0863  0.0000  0.4494  1.0
  Pb  Pb4  4  0.1182  0.5000  0.1175  1.0
]