data_Zn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   6.63
_cell_angle_alpha   105.24
_cell_angle_beta   105.24
_cell_angle_gamma   33.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Au
_chemical_formula_sum   'Zn4 Au2'
_cell_volume   95.79
_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  0.32  0.0  0.24  1.0
  Zn  Zn3  1  0.75  0.0  0.97  1.0
  Zn  Zn4  1  0.39  0.0  0.4  1.0
  Zn  Zn5  1  0.82  0.0  0.14  1.0
  Au  Au0  1  0.53  0.0  0.39  1.0
  Au  Au1  1  0.61  0.0  0.99  1.0

data_Zn2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.02
_cell_length_b   5.2
_cell_length_c   6.63
_cell_angle_alpha   105.24
_cell_angle_beta   90.0
_cell_angle_gamma   106.87
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn2Au
_chemical_formula_sum   'Zn4 Au2'
_cell_volume   95.79
_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  0.0  0.18  0.28  1.0
  Zn  Zn1  2  0.0  0.25  0.45  1.0
  Au  Au2  2  0.0  0.04  0.3  1.0

Zn Zn Zn Zn Au Au