data_[Li3Ac6In36Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  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 [9.9254]
_cell_length_b [9.9254]
_cell_length_c [19.2953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiAc2(In4Ir)3]
_chemical_formula_sum '[Li3 Ac6 In36 Ir9]'
_cell_volume [1646.1876]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0000  1
  Ac  Ac1  6  0.0000  0.0000  0.4053  1
  In  In2  18  0.0141  0.5070  0.3636  1
  In  In3  18  0.0712  0.5356  0.8184  1
  Ir  Ir4  9  0.0000  0.5000  0.5000  1
]