data_ZnCuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   147.4
_cell_angle_beta   147.4
_cell_angle_gamma   46.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuAu
_chemical_formula_sum   'Zn1 Cu1 Au1'
_cell_volume   43.43
_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
  Zn  Zn2  1  0.0  0.0  0.61  1.0
  Cu  Cu1  1  0.0  0.0  0.18  1.0
  Au  Au0  1  0.0  0.0  0.73  1.0

data_ZnCuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   113.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCuAu
_chemical_formula_sum   'Zn2 Cu2 Au2'
_cell_volume   86.87
_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
  Zn  Zn0  2  0.0  0.0  0.39  1.0
  Cu  Cu1  2  0.0  0.0  0.82  1.0
  Au  Au2  2  0.0  0.0  0.27  1.0

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