data_[Cu8B8Pd24]
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 [C2/c]
_cell_length_a [9.6418]
_cell_length_b [5.6355]
_cell_length_c [9.9234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuBPd3]
_chemical_formula_sum '[Cu8 B8 Pd24]'
_cell_volume [533.8734]
_cell_formula_units_Z [8]
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  8  0.0762  0.3466  0.1424  1
  B  B1  4  0.0000  0.3584  0.7500  1
  B  B2  4  0.2500  0.2500  0.5000  1
  Pd  Pd3  8  0.0666  0.1774  0.5869  1
  Pd  Pd4  8  0.1653  0.0543  0.3350  1
  Pd  Pd5  8  0.1806  0.4280  0.8948  1
]