data_[B12Pd4Rh20]
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 [C2/m]
_cell_length_a [9.3578]
_cell_length_b [6.9919]
_cell_length_c [7.7000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B3PdRh5]
_chemical_formula_sum '[B12 Pd4 Rh20]'
_cell_volume [456.3913]
_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
[
  B  B0  4  0.1649  0.5000  0.1695  1
  B  B1  4  0.1750  0.5000  0.6517  1
  B  B2  2  0.0000  0.0000  0.0000  1
  B  B3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  4  0.2383  0.0000  0.0336  1
  Rh  Rh5  8  0.1717  0.2025  0.6564  1
  Rh  Rh6  4  0.0000  0.2964  0.0000  1
  Rh  Rh7  4  0.0551  0.5000  0.3548  1
  Rh  Rh8  4  0.0902  0.0000  0.2946  1
]