data_[Tb24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [11.7064]
_cell_length_b [11.7064]
_cell_length_c [6.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tb3Ir]
_chemical_formula_sum '[Tb24 Ir8]'
_cell_volume [844.9170]
_cell_formula_units_Z [8]
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  0.3581  0.5000  1.0
  Tb  Tb1  8  0.0950  0.9050  0.7545  1.0
  Tb  Tb2  8  0.2034  0.2034  0.8050  1.0
  Ir  Ir3  8  0.0000  0.2929  0.0000  1.0
]