data_Ga2GeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GeAu
_chemical_formula_sum   'Ga2 Ge1 Au1'
_cell_volume   73.79
_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
  Ga  Ga1  1  0.53  0.02  0.52  1.0
  Ga  Ga2  1  0.53  0.98  0.52  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.06  0.0  0.0  1.0

data_Ga2GeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   104.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GeAu
_chemical_formula_sum   'Ga2 Ge1 Au1'
_cell_volume   73.79
_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
  Ga  Ga0  1  0.52  0.53  0.02  1.0
  Ga  Ga1  1  0.52  0.53  0.98  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.06  0.0  1.0

Ga Ga Ge Au