data_[B18Rh36Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.3346]
_cell_length_b [10.3346]
_cell_length_c [8.0039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [B6Rh12Pb]
_chemical_formula_sum '[B18 Rh36 Pb3]'
_cell_volume [740.3222]
_cell_formula_units_Z [3]
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  18  0.0445  0.5223  0.2858  1.0
  Rh  Rh1  18  0.0000  0.3668  0.5000  1.0
  Rh  Rh2  18  0.0888  0.1776  0.3633  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0000  1.0
]