data_[Ac6Tb3In36Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.8897]
_cell_length_b [9.8897]
_cell_length_c [19.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Tb(In4Ir)3]
_chemical_formula_sum '[Ac6 Tb3 In36 Ir9]'
_cell_volume [1656.8274]
_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
[
  Ac  Ac0  6  0.0000  0.0000  0.4109  1
  Tb  Tb1  3  0.0000  0.0000  0.0000  1
  In  In2  18  0.0382  0.5191  0.3666  1
  In  In3  18  0.0700  0.5350  0.8201  1
  Ir  Ir4  9  0.0000  0.5000  0.5000  1
]