data_CuGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   2.9
_cell_angle_alpha   101.05
_cell_angle_beta   101.05
_cell_angle_gamma   114.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeAu2
_chemical_formula_sum   'Cu1 Ge1 Au2'
_cell_volume   67.46
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.82  0.0  0.0  1.0
  Au  Au0  1  0.9  0.21  0.35  1.0
  Au  Au1  1  0.9  0.79  0.35  1.0

data_CuGeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   114.8
_cell_angle_beta   101.05
_cell_angle_gamma   101.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeAu2
_chemical_formula_sum   'Cu1 Ge1 Au2'
_cell_volume   67.46
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  -0.0  0.82  0.0  1.0
  Au  Au2  1  0.35  0.9  0.21  1.0
  Au  Au3  1  0.35  0.9  0.79  1.0

Cu Ge Au Au