data_[Ac6Nd6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5291]
_cell_length_b [5.2146]
_cell_length_c [13.1075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcNdAu]
_chemical_formula_sum '[Ac6 Nd6 Au6]'
_cell_volume [582.7805]
_cell_formula_units_Z [6]
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  2  0.0285  0.7500  0.7270  1
  Ac  Ac1  2  0.3571  0.2500  0.0835  1
  Ac  Ac2  2  0.4636  0.2500  0.3838  1
  Nd  Nd3  2  0.0430  0.7500  0.0802  1
  Nd  Nd4  2  0.1380  0.7500  0.4486  1
  Nd  Nd5  2  0.3457  0.2500  0.7816  1
  Au  Au6  2  0.2188  0.2500  0.5637  1
  Au  Au7  2  0.2739  0.7500  0.9069  1
  Au  Au8  2  0.3004  0.7500  0.2474  1
]