data_[Tb12Si12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2504]
_cell_length_b [10.4817]
_cell_length_c [14.0644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Si3Ir2]
_chemical_formula_sum '[Tb12 Si12 Ir8]'
_cell_volume [626.5867]
_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  8  0.0000  0.0829  0.6121  1
  Tb  Tb1  4  0.0000  0.3623  0.7500  1
  Si  Si2  8  0.0000  0.3771  0.5354  1
  Si  Si3  4  0.0000  0.3323  0.2500  1
  Ir  Ir4  8  0.0000  0.2020  0.0973  1
]