data_CuAgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   153.13
_cell_angle_beta   153.13
_cell_angle_gamma   38.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgAu
_chemical_formula_sum   'Cu1 Ag1 Au1'
_cell_volume   48.42
_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  Cu2  1  0.0  0.0  0.81  1.0
  Ag  Ag0  1  0.0  0.0  0.11  1.0
  Au  Au1  1  0.0  0.0  0.77  1.0

data_CuAgAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   109.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuAgAu
_chemical_formula_sum   'Cu2 Ag2 Au2'
_cell_volume   96.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.19  1.0
  Ag  Ag1  2  0.0  0.0  0.89  1.0
  Au  Au2  2  0.0  0.0  0.23  1.0

Cu Ag Au
Cu Ag Au 0 2 o o o 0 1 o o + 1 2 o o - 