data_[B6Rh18Pb6]
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 [5.6994]
_cell_length_b [5.6994]
_cell_length_c [16.1801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BRh3Pb]
_chemical_formula_sum '[B6 Rh18 Pb6]'
_cell_volume [455.1691]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1700  1.0
  Rh  Rh1  18  0.0088  0.5044  0.5867  1.0
  Pb  Pb2  6  0.0000  0.0000  0.3963  1.0
]