data_[Tb8Si8Ir4]
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 [C2/m]
_cell_length_a [10.6762]
_cell_length_b [4.2277]
_cell_length_c [10.0941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Si2Ir]
_chemical_formula_sum '[Tb8 Si8 Ir4]'
_cell_volume [397.8262]
_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  0.0068  0.0000  0.6778  1.0
  Tb  Tb1  4  0.1837  0.0000  0.1077  1.0
  Si  Si2  4  0.0097  0.5000  0.8766  1.0
  Si  Si3  4  0.1440  0.5000  0.5659  1.0
  Ir  Ir4  4  0.2256  0.5000  0.3747  1.0
]