data_[Tb8Y8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4066]
_cell_length_b [4.5273]
_cell_length_c [11.0719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbYIr]
_chemical_formula_sum '[Tb8 Y8 Ir8]'
_cell_volume [610.0062]
_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  4  0.1495  0.0000  0.9699  1.0
  Tb  Tb1  4  0.2131  0.0000  0.3819  1.0
  Y  Y2  4  0.0683  0.5000  0.1777  1.0
  Y  Y3  4  0.0787  0.0000  0.6515  1.0
  Ir  Ir4  4  0.0866  0.5000  0.4374  1.0
  Ir  Ir5  4  0.1633  0.5000  0.8241  1.0
]