data_CuNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   144.8
_cell_angle_beta   129.92
_cell_angle_gamma   62.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiAu2
_chemical_formula_sum   'Cu1 Ni1 Au2'
_cell_volume   58.64
_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  0.17  0.12  1.0
  Ni  Ni3  1  0.0  0.0  0.45  1.0
  Au  Au0  1  0.0  0.17  0.26  1.0
  Au  Au1  1  0.0  0.0  0.28  1.0

data_CuNiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.33
_cell_length_c   5.12
_cell_angle_alpha   115.04
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiAu2
_chemical_formula_sum   'Cu1 Ni1 Au2'
_cell_volume   58.64
_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  0.83  0.95  0.95  1.0
  Ni  Ni1  1  0.0  0.45  0.45  1.0
  Au  Au2  1  0.0  0.28  0.28  1.0
  Au  Au3  1  0.83  0.1  0.1  1.0

Cu Ni Au Au