data_ZnInAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   139.28
_cell_angle_beta   131.2
_cell_angle_gamma   65.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInAu2
_chemical_formula_sum   'Zn1 In1 Au2'
_cell_volume   74.71
_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  0.91  1.0
  In  In2  1  0.0  0.22  0.03  1.0
  Au  Au0  1  0.0  0.22  0.42  1.0
  Au  Au1  1  0.0  0.0  0.19  1.0

data_ZnInAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.43
_cell_length_c   5.36
_cell_angle_alpha   114.4
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInAu2
_chemical_formula_sum   'Zn1 In1 Au2'
_cell_volume   74.71
_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  0.09  0.09  0.09  1.0
  In  In1  1  0.97  0.19  0.19  1.0
  Au  Au2  1  0.58  0.79  0.79  1.0
  Au  Au3  1  0.81  0.81  0.81  1.0

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