data_CuAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.57
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   99.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgAu2
_chemical_formula_sum   'Cu1 Ag1 Au2'
_cell_volume   67.15
_cell_formula_units_Z   1
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  Cu3  1  0.02  0.0  0.56  1.0
  Ag  Ag0  1  0.26  0.29  0.86  1.0
  Au  Au1  1  0.95  0.0  0.14  1.0
  Au  Au2  1  0.79  0.29  0.39  1.0

data_CuAgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.57
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   99.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgAu2
_chemical_formula_sum   'Cu1 Ag1 Au2'
_cell_volume   67.15
_cell_formula_units_Z   1
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  1  0.02  0.0  0.56  1.0
  Ag  Ag1  1  0.26  0.29  0.86  1.0
  Au  Au2  1  0.79  0.29  0.39  1.0
  Au  Au3  1  0.95  0.0  0.14  1.0

Cu Ag Au Au