data_[Tb3Y9Ir24]
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 [R3m]
_cell_length_a [5.3763]
_cell_length_b [5.3763]
_cell_length_c [26.2847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbY3Ir8]
_chemical_formula_sum '[Tb3 Y9 Ir24]'
_cell_volume [657.9541]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1250  1.0
  Y  Y1  3  0.0000  0.0000  0.5000  1.0
  Y  Y2  3  0.0000  0.0000  0.6250  1.0
  Y  Y3  3  0.0000  0.0000  1.0000  1.0
  Ir  Ir4  9  0.0000  0.5000  0.0625  1.0
  Ir  Ir5  9  0.1667  0.3334  0.8959  1.0
  Ir  Ir6  3  0.0000  0.0000  0.3125  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8125  1.0
]