data_[Ac2Al2Zn16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4742]
_cell_length_b [5.3345]
_cell_length_c [10.0065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcAl(Zn4Au)2]
_chemical_formula_sum '[Ac2 Al2 Zn16 Au4]'
_cell_volume [450.6964]
_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  0.0000  0.0000  0.5000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  8  0.1122  0.2525  0.8103  1
  Zn  Zn3  4  0.1529  0.5000  0.0467  1
  Zn  Zn4  4  0.1657  0.5000  0.6019  1
  Au  Au5  4  0.1551  0.5000  0.3263  1
]