data_[Ac16Ir8Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [21.3336]
_cell_length_b [4.4414]
_cell_length_c [14.6152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.2139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac8Ir4Au]
_chemical_formula_sum '[Ac16 Ir8 Au2]'
_cell_volume [1025.6543]
_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  2  0.0416  0.5000  0.7342  1
  Ac  Ac1  2  0.1380  0.0000  0.6029  1
  Ac  Ac2  2  0.1634  0.0000  0.3516  1
  Ac  Ac3  2  0.2074  0.0000  0.0742  1
  Ac  Ac4  2  0.2926  0.5000  0.9424  1
  Ac  Ac5  2  0.3370  0.5000  0.6644  1
  Ac  Ac6  2  0.3522  0.5000  0.4045  1
  Ac  Ac7  2  0.4595  0.0000  0.2839  1
  Ir  Ir8  2  0.1480  0.5000  0.4774  1
  Ir  Ir9  2  0.1658  0.0000  0.8318  1
  Ir  Ir10  2  0.3382  0.5000  0.1841  1
  Ir  Ir11  2  0.3538  0.0000  0.5460  1
  Au  Au12  2  0.1477  0.5000  0.1704  1
]