data_ZnIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Au
_chemical_formula_sum   'Zn1 In2 Au1'
_cell_volume   87.42
_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  0.92  1.0
  In  In1  1  0.0  0.0  0.31  1.0
  In  In2  1  0.26  0.0  0.05  1.0
  Au  Au0  1  0.26  0.0  0.4  1.0

data_ZnIn2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnIn2Au
_chemical_formula_sum   'Zn1 In2 Au1'
_cell_volume   87.43
_cell_formula_units_Z   1
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  1  0.0  0.0  0.92  1.0
  In  In1  1  0.0  0.0  0.31  1.0
  In  In2  1  0.26  0.0  0.05  1.0
  Au  Au3  1  0.26  0.0  0.4  1.0

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