data_Zn5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Au3
_chemical_formula_sum   'Zn5 Au3'
_cell_volume   127.17
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Zn  Zn4  1  0.82  0.9  0.0  1.0
  Zn  Zn5  1  0.82  0.1  0.0  1.0
  Zn  Zn6  1  0.4  0.0  0.08  1.0
  Zn  Zn7  1  0.9  0.0  0.08  1.0
  Au  Au0  1  0.65  0.0  0.0  1.0
  Au  Au1  1  0.65  0.74  0.08  1.0
  Au  Au2  1  0.65  0.26  0.08  1.0

data_Zn5Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   98.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Au3
_chemical_formula_sum   'Zn5 Au3'
_cell_volume   127.17
_cell_formula_units_Z   1
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  0.82  0.9  1.0
  Zn  Zn1  1  -0.0  0.82  0.1  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.08  0.4  0.0  1.0
  Zn  Zn4  1  0.08  0.9  0.0  1.0
  Au  Au5  1  0.0  0.65  0.0  1.0
  Au  Au6  1  0.08  0.65  0.26  1.0
  Au  Au7  1  0.08  0.65  0.74  1.0

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