data_[Ba8Ge4Pd8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3695]
_cell_length_b [6.2390]
_cell_length_c [8.5914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2GePd2]
_chemical_formula_sum '[Ba8 Ge4 Pd8]'
_cell_volume [543.2660]
_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  8  0.1526  0.3744  0.6516  1.0
  Ge  Ge1  4  0.0000  0.1002  0.2500  1.0
  Pd  Pd2  8  0.1198  0.1237  0.0031  1.0
]