data_[Ac2Ir1Au3]
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 [Pmm2]
_cell_length_a [3.9986]
_cell_length_b [4.6365]
_cell_length_c [8.4708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ac2IrAu3]
_chemical_formula_sum '[Ac2 Ir1 Au3]'
_cell_volume [157.0450]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4793  1
  Ac  Ac1  1  0.0000  0.5000  0.0265  1
  Ir  Ir2  1  0.5000  0.5000  0.3357  1
  Au  Au3  1  0.5000  0.0000  0.1660  1
  Au  Au4  1  0.5000  0.0000  0.8372  1
  Au  Au5  1  0.5000  0.5000  0.6553  1
]