data_[Tb4B12Ir20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3662]
_cell_length_b [9.8196]
_cell_length_c [14.8893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbB3Ir5]
_chemical_formula_sum '[Tb4 B12 Ir20]'
_cell_volume [492.1569]
_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
[
  Tb  Tb0  4  0.0000  0.2035  0.2500  1
  B  B1  8  0.0000  0.3631  0.0396  1
  B  B2  4  0.0000  0.0517  0.7500  1
  Ir  Ir3  8  0.0000  0.2535  0.5842  1
  Ir  Ir4  8  0.0000  0.4782  0.1598  1
  Ir  Ir5  4  0.0000  0.0000  0.0000  1
]