data_[Cu4Ge4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [6.8831]
_cell_length_b [13.3840]
_cell_length_c [4.8619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuGePd5]
_chemical_formula_sum '[Cu4 Ge4 Pd20]'
_cell_volume [427.6412]
_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
[
  Cu  Cu0  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  4  0.0000  0.2894  0.2500  1.0
  Pd  Pd2  8  0.1574  0.5632  0.5952  1.0
  Pd  Pd3  8  0.2234  0.1436  0.3412  1.0
  Pd  Pd4  4  0.0000  0.2011  0.7500  1.0
]