data_[Cu4B4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.0146]
_cell_length_b [7.9084]
_cell_length_c [8.1415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CuBPd5]
_chemical_formula_sum '[Cu4 B4 Pd20]'
_cell_volume [451.6448]
_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  0.2500  0.5891  1
  B  B1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.0000  0.0836  0.2384  1
  Pd  Pd3  8  0.2098  0.0000  0.5000  1
  Pd  Pd4  4  0.0000  0.2500  0.9069  1
]