data_[Ba6Sb8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8203]
_cell_length_b [5.5034]
_cell_length_c [10.4003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(Sb2Pb)2]
_chemical_formula_sum '[Ba6 Sb8 Pb4]'
_cell_volume [683.9645]
_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
[
  Ba  Ba0  4  0.1225  0.5000  0.6903  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.0901  0.0000  0.3804  1
  Sb  Sb3  4  0.2261  0.5000  0.0478  1
  Pb  Pb4  4  0.1908  0.5000  0.3468  1
]