data_ZnGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.49
_cell_angle_alpha   103.04
_cell_angle_beta   103.04
_cell_angle_gamma   40.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaAu2
_chemical_formula_sum   'Zn1 Ga1 Au2'
_cell_volume   68.78
_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  0.47  0.0  0.48  1.0
  Ga  Ga2  1  0.14  0.0  1.0  1.0
  Au  Au0  1  0.17  0.0  0.12  1.0
  Au  Au1  1  0.7  0.0  0.3  1.0

data_ZnGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.49
_cell_length_c   4.94
_cell_angle_alpha   103.04
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaAu2
_chemical_formula_sum   'Zn1 Ga1 Au2'
_cell_volume   68.78
_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  0.48  0.47  1.0
  Ga  Ga1  1  0.0  1.0  0.14  1.0
  Au  Au2  1  0.0  0.12  0.17  1.0
  Au  Au3  1  0.0  0.3  0.7  1.0

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