data_[Tb2Ce8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [8.9596]
_cell_length_b [8.9596]
_cell_length_c [5.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Tb(CeIr)4]
_chemical_formula_sum '[Tb2 Ce8 Ir8]'
_cell_volume [456.3992]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  8  0.0942  0.6858  0.4412  1.0
  Ir  Ir2  8  0.1199  0.7069  0.9383  1.0
]