data_Ge2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   142.92
_cell_angle_beta   128.29
_cell_angle_gamma   65.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PdAu
_chemical_formula_sum   'Ge2 Pd1 Au1'
_cell_volume   70.0
_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
  Ge  Ge1  1  0.0  0.0  0.93  1.0
  Ge  Ge2  1  0.69  0.0  0.35  1.0
  Pd  Pd3  1  0.0  0.0  0.36  1.0
  Au  Au0  1  0.0  0.32  0.24  1.0

data_Ge2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.63
_cell_length_c   5.31
_cell_angle_alpha   115.85
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PdAu
_chemical_formula_sum   'Ge2 Pd1 Au1'
_cell_volume   70.0
_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
  Ge  Ge0  1  0.0  0.35  0.66  1.0
  Ge  Ge1  1  0.0  0.93  0.93  1.0
  Pd  Pd2  1  0.0  0.36  0.36  1.0
  Au  Au3  1  0.68  0.92  0.92  1.0

Ge Ge Pd Au
Ge Ge Pd Au 0 3 o o + 1 2 + o o 