data_[Ac4Al6Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1446]
_cell_length_b [4.6805]
_cell_length_c [7.0010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Al3Au2]
_chemical_formula_sum '[Ac4 Al6 Au4]'
_cell_volume [338.2452]
_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  0.1514  0.0000  0.7819  1
  Al  Al1  4  0.0968  0.5000  0.4181  1
  Al  Al2  2  0.0000  0.5000  0.0000  1
  Au  Au3  4  0.1527  0.0000  0.2729  1
]