data_[Ge4Pd20]
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 [C2/m]
_cell_length_a [5.6072]
_cell_length_b [7.8491]
_cell_length_c [8.5341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GePd5]
_chemical_formula_sum '[Ge4 Pd20]'
_cell_volume [372.0285]
_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
[
  Ge  Ge0  4  0.2239  0.0000  0.7082  1.0
  Pd  Pd1  8  0.0353  0.2409  0.1739  1.0
  Pd  Pd2  4  0.0000  0.1889  0.5000  1.0
  Pd  Pd3  4  0.1548  0.5000  0.6475  1.0
  Pd  Pd4  4  0.2437  0.5000  0.9926  1.0
]