data_[Cu10Ag2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0518]
_cell_length_b [12.2089]
_cell_length_c [7.4853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cu5AgAu6]
_chemical_formula_sum '[Cu10 Ag2 Au12]'
_cell_volume [370.2870]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  4  0.0000  0.3300  0.0000  1.0
  Cu  Cu1  4  0.0000  0.3330  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  8  0.0000  0.1691  0.2567  1.0
  Au  Au5  4  0.0000  0.5000  0.2641  1.0
]