data_[Ac16Ru4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1542]
_cell_length_b [16.5075]
_cell_length_c [7.4326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac4RuAu]
_chemical_formula_sum '[Ac16 Ru4 Au4]'
_cell_volume [914.8546]
_cell_formula_units_Z [4]
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  8  0.2017  0.1952  0.7112  1
  Ac  Ac1  8  0.2368  0.0527  0.2326  1
  Ru  Ru2  4  0.0000  0.0768  0.7500  1
  Au  Au3  4  0.0000  0.4145  0.2500  1
]