data_Cu2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   130.93
_cell_angle_beta   130.93
_cell_angle_gamma   71.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiAu
_chemical_formula_sum   'Cu2 Ni1 Au1'
_cell_volume   52.5
_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  Cu1  1  0.0  0.0  0.68  1.0
  Cu  Cu2  1  0.0  0.89  0.84  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.89  0.0  0.84  1.0

data_Cu2NiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   4.55
_cell_angle_alpha   114.54
_cell_angle_beta   114.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiAu
_chemical_formula_sum   'Cu2 Ni1 Au1'
_cell_volume   52.5
_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  0.68  0.68  0.68  1.0
  Cu  Cu1  1  0.95  0.84  0.95  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.84  0.95  0.95  1.0

Cu Cu Ni Au