data_[Ac12Cu4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5748]
_cell_length_b [4.2033]
_cell_length_c [9.0396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3CuAu]
_chemical_formula_sum '[Ac12 Cu4 Au4]'
_cell_volume [662.8510]
_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  4  0.0585  0.0000  0.3214  1
  Ac  Ac1  4  0.1007  0.5000  0.9534  1
  Ac  Ac2  4  0.2351  0.0000  0.6888  1
  Cu  Cu3  4  0.2209  0.0000  0.0558  1
  Au  Au4  4  0.0915  0.5000  0.5909  1
]