data_[B16Pd16Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.7900]
_cell_length_b [10.1518]
_cell_length_c [6.6565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [BPdRh]
_chemical_formula_sum '[B16 Pd16 Rh16]'
_cell_volume [593.9835]
_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  0.0549  0.2700  0.9712  1.0
  Pd  Pd1  16  0.0817  0.3821  0.6717  1.0
  Rh  Rh2  16  0.0253  0.3691  0.2458  1.0
]