data_[Tb20Ir8]
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 [C2/c]
_cell_length_a [16.0027]
_cell_length_b [6.4977]
_cell_length_c [7.2156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb5Ir2]
_chemical_formula_sum '[Tb20 Ir8]'
_cell_volume [744.5828]
_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  8  0.0923  0.1142  0.9173  1.0
  Tb  Tb1  8  0.2191  0.4315  0.3155  1.0
  Tb  Tb2  4  0.0000  0.4295  0.2500  1.0
  Ir  Ir3  8  0.1115  0.2866  0.5747  1.0
]