data_[Ba4Ge2Pd12Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  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 [12.4855]
_cell_length_b [5.8047]
_cell_length_c [8.6788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2GePd6Pb]
_chemical_formula_sum '[Ba4 Ge2 Pd12 Pb2]'
_cell_volume [483.1489]
_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  0.2463  0.0000  0.7881  1.0
  Ge  Ge1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  8  0.0286  0.2514  0.2929  1.0
  Pd  Pd3  4  0.2461  0.5000  0.6112  1.0
  Pb  Pb4  2  0.0000  0.0000  0.0000  1.0
]