data_[Ge2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3304]
_cell_length_b [5.3401]
_cell_length_c [6.6133]
_cell_angle_alpha [66.8070]
_cell_angle_beta [78.2107]
_cell_angle_gamma [62.8412]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GePd4]
_chemical_formula_sum '[Ge2 Pd8]'
_cell_volume [153.8864]
_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
[
  Ge  Ge0  2  0.2940  0.5998  0.2219  1.0
  Pd  Pd1  2  0.0042  0.6851  0.5980  1.0
  Pd  Pd2  2  0.1713  0.9149  0.8264  1.0
  Pd  Pd3  2  0.2885  0.2849  0.9968  1.0
  Pd  Pd4  2  0.4779  0.8024  0.4202  1.0
]