data_[Tb16Tl4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1341]
_cell_length_b [5.1015]
_cell_length_c [6.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tl2Ir]
_chemical_formula_sum '[Tb16 Tl4 Ir2]'
_cell_volume [632.6352]
_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  4  0.0193  0.0000  0.7849  1.0
  Tb  Tb1  4  0.0875  0.5000  0.4448  1.0
  Tb  Tb2  4  0.1458  0.5000  0.9835  1.0
  Tb  Tb3  4  0.2106  0.0000  0.3179  1.0
  Tl  Tl4  4  0.1826  0.0000  0.7515  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]