data_ZnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   52.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2
_chemical_formula_sum   'Zn2 Au4'
_cell_volume   101.75
_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  Zn4  1  0.7  0.34  0.48  1.0
  Zn  Zn5  1  0.7  0.66  0.16  1.0
  Au  Au0  1  0.25  0.0  0.48  1.0
  Au  Au1  1  0.16  1.0  0.16  1.0
  Au  Au2  1  0.16  0.0  0.48  1.0
  Au  Au3  1  0.25  1.0  0.16  1.0

data_ZnAu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.64
_cell_length_b   4.66
_cell_length_c   5.25
_cell_angle_alpha   116.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnAu2
_chemical_formula_sum   'Zn2 Au4'
_cell_volume   101.75
_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  0.34  0.66  0.66  1.0
  Au  Au1  2  0.34  1.0  0.45  1.0
  Au  Au2  2  0.34  1.0  0.55  1.0

Zn Zn Au Au Au Au