data_Zn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   9.41
_cell_length_c   9.41
_cell_angle_alpha   162.99
_cell_angle_beta   154.87
_cell_angle_gamma   30.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Au
_chemical_formula_sum   'Zn4 Au2'
_cell_volume   103.53
_cell_formula_units_Z   2
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  0.02  0.78  1.0
  Zn  Zn3  1  0.0  0.02  0.46  1.0
  Zn  Zn4  1  0.39  0.02  0.63  1.0
  Zn  Zn5  1  0.39  0.02  0.3  1.0
  Au  Au0  1  0.0  0.02  0.08  1.0
  Au  Au1  1  0.39  0.02  1.0  1.0

data_Zn2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.78
_cell_length_b   4.1
_cell_length_c   9.41
_cell_angle_alpha   102.57
_cell_angle_beta   98.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn2Au
_chemical_formula_sum   'Zn4 Au2'
_cell_volume   103.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Zn0  2  0.06  0.76  0.06  1.0
  Zn  Zn1  2  0.39  0.09  0.39  1.0
  Au  Au2  2  0.24  0.54  0.24  1.0

Zn Zn Zn Zn Au Au