data_ZnGa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   143.32
_cell_angle_beta   121.74
_cell_angle_gamma   70.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Au
_chemical_formula_sum   'Zn1 Ga2 Au1'
_cell_volume   72.79
_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  0.31  1.0
  Ga  Ga1  1  0.0  0.0  0.54  1.0
  Ga  Ga2  1  0.66  0.0  0.19  1.0
  Au  Au0  1  0.0  0.56  0.12  1.0

data_ZnGa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.12
_cell_length_c   5.26
_cell_angle_alpha   119.13
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Au
_chemical_formula_sum   'Zn1 Ga2 Au1'
_cell_volume   72.79
_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  0.69  0.69  0.69  1.0
  Ga  Ga1  1  0.46  0.46  0.46  1.0
  Ga  Ga2  1  0.47  0.81  0.47  1.0
  Au  Au3  1  0.88  0.44  0.44  1.0

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