data_[Ac12Ga4Au2]
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 [P2_1/c]
_cell_length_a [7.1401]
_cell_length_b [8.7606]
_cell_length_c [12.5728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac6Ga2Au]
_chemical_formula_sum '[Ac12 Ga4 Au2]'
_cell_volume [664.5310]
_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  0.0818  0.0483  0.2327  1
  Ac  Ac1  4  0.2013  0.6872  0.0706  1
  Ac  Ac2  4  0.4152  0.1655  0.0627  1
  Ga  Ga3  4  0.3132  0.1216  0.7473  1
  Au  Au4  2  0.5000  0.0000  0.5000  1
]