data_[Ac8In20Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmc2_1]
_cell_length_a [4.5773]
_cell_length_b [27.2728]
_cell_length_c [7.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2In5Ir3]
_chemical_formula_sum '[Ac8 In20 Ir12]'
_cell_volume [947.4220]
_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
[
  Ac  Ac0  4  0.0000  0.1757  0.1990  1
  Ac  Ac1  4  0.0000  0.4738  0.2894  1
  In  In2  4  0.0000  0.0539  0.1198  1
  In  In3  4  0.0000  0.1292  0.7409  1
  In  In4  4  0.0000  0.2899  0.9984  1
  In  In5  4  0.0000  0.2932  0.3903  1
  In  In6  4  0.0000  0.4016  0.9056  1
  Ir  Ir7  4  0.0000  0.0452  0.5007  1
  Ir  Ir8  4  0.0000  0.2315  0.6924  1
  Ir  Ir9  4  0.0000  0.3891  0.5283  1
]