data_[Ac4Cu4Au4]
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 [P2_1/c]
_cell_length_a [6.1057]
_cell_length_b [6.0988]
_cell_length_c [8.5257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcCuAu]
_chemical_formula_sum '[Ac4 Cu4 Au4]'
_cell_volume [292.5033]
_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  0.2100  0.6496  0.3722  1
  Cu  Cu1  4  0.3967  0.1017  0.2851  1
  Au  Au2  4  0.2139  0.1450  0.5207  1
]