data_GaGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   23.23
_cell_angle_beta   23.23
_cell_angle_gamma   23.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeAu2
_chemical_formula_sum   'Ga1 Ge1 Au2'
_cell_volume   74.92
_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  Ga2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.94  1.0
  Au  Au0  1  0.0  0.0  0.89  1.0
  Au  Au1  1  0.0  0.0  1.0  1.0

data_GaGeAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.3
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaGeAu2
_chemical_formula_sum   'Ga2 Ge2 Au4'
_cell_volume   149.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.06  1.0
  Au  Au2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.11  1.0

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