data_[Ac6Zn6Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [17.0094]
_cell_length_b [4.7676]
_cell_length_c [9.3323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Zn3Au8]
_chemical_formula_sum '[Ac6 Zn6 Au16]'
_cell_volume [633.3958]
_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  0.2054  0.5000  0.7253  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1697  0.5000  0.3326  1
  Zn  Zn3  2  0.0000  0.0000  0.5000  1
  Au  Au4  4  0.0090  0.5000  0.3310  1
  Au  Au5  4  0.1235  0.0000  0.8360  1
  Au  Au6  4  0.1379  0.0000  0.4266  1
  Au  Au7  4  0.1473  0.5000  0.0329  1
]