data_ZnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2
_chemical_formula_sum   'Zn2 Au4'
_cell_volume   101.94
_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  0.93  0.78  0.12  1.0
  Zn  Zn5  1  0.93  0.22  0.04  1.0
  Au  Au0  1  0.93  0.04  0.12  1.0
  Au  Au1  1  0.93  0.96  0.04  1.0
  Au  Au2  1  0.93  0.12  0.12  1.0
  Au  Au3  1  0.93  0.88  0.04  1.0

data_ZnAu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.85
_cell_length_b   4.16
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnAu2
_chemical_formula_sum   'Zn2 Au4'
_cell_volume   101.94
_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  0.22  0.54  0.22  1.0
  Au  Au1  2  0.04  0.46  0.04  1.0
  Au  Au2  2  0.12  0.46  0.12  1.0

Zn Zn Au Au Au Au