data_[Ac16Ga4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2227]
_cell_length_b [5.4840]
_cell_length_c [7.4514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8Ga2Au]
_chemical_formula_sum '[Ac16 Ga4 Au2]'
_cell_volume [809.8379]
_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  0.0262  0.0000  0.7724  1
  Ac  Ac1  4  0.0916  0.5000  0.4544  1
  Ac  Ac2  4  0.1588  0.5000  0.9726  1
  Ac  Ac3  4  0.2081  0.0000  0.3214  1
  Ga  Ga4  4  0.1901  0.0000  0.7508  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]