data_[Ba4Sb2Pd12Pb2]
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
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9593]
_cell_length_b [5.8117]
_cell_length_c [8.9937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SbPd6Pb]
_chemical_formula_sum '[Ba4 Sb2 Pd12 Pb2]'
_cell_volume [503.4177]
_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  0.2482  0.0000  0.2847  1.0
  Sb  Sb1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  8  0.0227  0.2488  0.7783  1.0
  Pd  Pd3  4  0.2498  0.5000  0.1025  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]