data_[B16Ir16Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.8537]
_cell_length_b [10.2507]
_cell_length_c [6.6980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [BIrPd]
_chemical_formula_sum '[B16 Ir16 Pd16]'
_cell_volume [607.8866]
_cell_formula_units_Z [16]
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
[
  B  B0  16  0.0593  0.2653  0.4794  1.0
  Ir  Ir1  16  0.0138  0.3676  0.7490  1.0
  Pd  Pd2  16  0.0865  0.3845  0.1604  1.0
]