data_[Cr4Cu4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7755]
_cell_length_b [7.2055]
_cell_length_c [5.1196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrCuPd5]
_chemical_formula_sum '[Cr4 Cu4 Pd20]'
_cell_volume [426.1010]
_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
[
  Cr  Cr0  4  0.2500  0.2500  0.5000  1
  Cu  Cu1  4  0.0000  0.2570  0.7500  1
  Pd  Pd2  8  0.1084  0.0455  0.1597  1
  Pd  Pd3  8  0.1863  0.4066  0.0072  1
  Pd  Pd4  4  0.0000  0.3780  0.2500  1
]