data_[Ac12Ag10Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6175]
_cell_length_b [16.8252]
_cell_length_c [7.8492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ac6Ag5Au]
_chemical_formula_sum '[Ac12 Ag10 Au2]'
_cell_volume [741.8678]
_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  8  0.0000  0.1644  0.2487  1
  Ac  Ac1  4  0.0000  0.5000  0.2459  1
  Ag  Ag2  4  0.0000  0.3292  0.0000  1
  Ag  Ag3  4  0.0000  0.3327  0.5000  1
  Ag  Ag4  2  0.0000  0.0000  0.5000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]