data_ZnAu
_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   136.47
_cell_angle_beta   134.77
_cell_angle_gamma   64.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu
_chemical_formula_sum   'Zn2 Au2'
_cell_volume   65.3
_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  0.99  0.09  1.0
  Zn  Zn3  1  0.9  0.99  0.25  1.0
  Au  Au0  1  0.0  0.99  0.42  1.0
  Au  Au1  1  0.9  0.99  0.92  1.0

data_ZnAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.81
_cell_length_b   3.95
_cell_length_c   5.14
_cell_angle_alpha   112.62
_cell_angle_beta   111.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnAu
_chemical_formula_sum   'Zn2 Au2'
_cell_volume   65.3
_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  0.08  0.13  1.0
  Au  Au1  2  0.0  0.25  0.2  1.0

Zn Zn Au Au