data_[Ac16In2Ir8]
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 [C2/m]
_cell_length_a [20.6283]
_cell_length_b [4.3952]
_cell_length_c [13.9566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8InIr4]
_chemical_formula_sum '[Ac16 In2 Ir8]'
_cell_volume [966.0060]
_cell_formula_units_Z [2]
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  0.0410  0.5000  0.7535  1
  Ac  Ac1  4  0.1280  0.0000  0.5851  1
  Ac  Ac2  4  0.1637  0.0000  0.3347  1
  Ac  Ac3  4  0.2081  0.0000  0.0764  1
  In  In4  2  0.0000  0.5000  0.0000  1
  Ir  Ir5  4  0.1450  0.5000  0.4613  1
  Ir  Ir6  4  0.1614  0.0000  0.8256  1
]