data_ZnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   106.92
_cell_angle_beta   106.92
_cell_angle_gamma   114.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2
_chemical_formula_sum   'Zn2 Au4'
_cell_volume   103.62
_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  0.0  0.0  0.39  1.0
  Zn  Zn5  1  0.0  0.0  0.16  1.0
  Au  Au0  1  0.07  0.98  0.0  1.0
  Au  Au1  1  0.07  0.02  0.77  1.0
  Au  Au2  1  0.98  0.04  0.0  1.0
  Au  Au3  1  0.98  0.07  0.77  1.0

data_ZnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   106.92
_cell_angle_beta   106.92
_cell_angle_gamma   114.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2
_chemical_formula_sum   'Zn2 Au4'
_cell_volume   103.62
_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  Zn0  1  0.16  0.16  0.16  1.0
  Zn  Zn1  1  0.39  0.39  0.39  1.0
  Au  Au2  1  0.02  0.96  0.0  1.0
  Au  Au3  1  0.7  0.75  0.77  1.0
  Au  Au4  1  0.79  0.7  0.77  1.0
  Au  Au5  1  0.93  0.02  0.0  1.0

Zn Zn Au Au Au Au