data_ZnAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2Cl
_chemical_formula_sum   'Zn1 Au2 Cl1'
_cell_volume   74.58
_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  0.8  0.0  0.0  1.0
  Au  Au0  1  0.4  0.83  0.54  1.0
  Au  Au1  1  0.4  0.17  0.54  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_ZnAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   114.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAu2Cl
_chemical_formula_sum   'Zn1 Au2 Cl1'
_cell_volume   74.58
_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  0.8  0.0  1.0
  Au  Au1  1  0.54  0.4  0.17  1.0
  Au  Au2  1  0.54  0.4  0.83  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zn Au Au Cl
Zn Au Au Cl 0 3 + o o 1 2 o + o 