data_[B12Ir4Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3600]
_cell_length_b [6.7089]
_cell_length_c [8.6166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [B6Ir2Pb]
_chemical_formula_sum '[B12 Ir4 Pb2]'
_cell_volume [194.2370]
_cell_formula_units_Z [2]
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  8  0.0000  0.2680  0.3108  1
  B  B1  4  0.0000  0.3610  0.5000  1
  Ir  Ir2  4  0.0000  0.0000  0.1712  1
  Pb  Pb3  2  0.0000  0.5000  0.0000  1
]