data_[Ac2La12Au7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [12.4833]
_cell_length_b [12.4833]
_cell_length_c [5.0083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Ac2La12Au7]
_chemical_formula_sum '[Ac2 La12 Au7]'
_cell_volume [675.9014]
_cell_formula_units_Z [1]
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
[
  La  La0  3  0.0567  0.4967  0.0000  1
  La  La1  3  0.2102  0.7597  0.5000  1
  La  La2  3  0.2499  0.2427  0.0000  1
  La  La3  3  0.3878  0.1302  0.5000  1
  Ac  Ac4  1  0.0000  0.0000  0.5000  1
  Ac  Ac5  1  0.6667  0.3333  0.0000  1
  Au  Au6  3  0.0096  0.2315  0.0000  1
  Au  Au7  3  0.4667  0.3992  0.5000  1
  Au  Au8  1  0.3333  0.6667  0.0000  1
]