data_Zn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Au
_chemical_formula_sum   'Zn6 Au3'
_cell_volume   146.47
_cell_formula_units_Z   3
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  Zn3  1  0.91  0.89  0.53  1.0
  Zn  Zn4  1  0.67  0.04  0.0  1.0
  Zn  Zn5  1  0.18  0.0  0.53  1.0
  Zn  Zn6  1  0.63  0.55  0.53  1.0
  Zn  Zn7  1  0.67  0.0  0.0  1.0
  Zn  Zn8  1  0.39  0.4  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.29  0.53  1.0
  Au  Au2  1  0.72  0.15  0.53  1.0

data_Zn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Au
_chemical_formula_sum   'Zn6 Au3'
_cell_volume   146.47
_cell_formula_units_Z   3
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  0.0  0.67  0.0  1.0
  Zn  Zn1  1  0.0  0.67  0.04  1.0
  Zn  Zn2  1  0.0  0.39  0.4  1.0
  Zn  Zn3  1  0.53  0.18  0.0  1.0
  Zn  Zn4  1  0.53  0.63  0.55  1.0
  Zn  Zn5  1  0.53  0.91  0.89  1.0
  Au  Au6  1  0.0  0.0  0.0  1.0
  Au  Au7  1  0.53  0.0  0.29  1.0
  Au  Au8  1  0.53  0.72  0.15  1.0

Zn Zn Zn Zn Zn Zn Au Au Au
Zn Zn Zn Zn Zn Zn Au Au Au 0 6 + + o 0 6 + + + 0 2 + + o 0 3 o o o 1 4 o o o 1 8 o o o 1 8 o o - 2 6 o o o 2 6 o o + 3 5 o o o 3 5 o o + 4 8 o o o 4 8 o o - 7 8 - o o 