data_GePdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.99
_cell_angle_alpha   105.35
_cell_angle_beta   105.35
_cell_angle_gamma   36.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePdAu2
_chemical_formula_sum   'Ge1 Pd1 Au2'
_cell_volume   69.42
_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  Ge2  1  0.01  0.0  0.55  1.0
  Pd  Pd3  1  0.2  0.0  0.46  1.0
  Au  Au0  1  0.01  0.0  0.78  1.0
  Au  Au1  1  0.84  0.0  0.18  1.0

data_GePdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.95
_cell_length_c   4.99
_cell_angle_alpha   105.35
_cell_angle_beta   90.0
_cell_angle_gamma   108.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePdAu2
_chemical_formula_sum   'Ge1 Pd1 Au2'
_cell_volume   69.42
_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  0.99  0.45  1.0
  Pd  Pd1  1  0.0  0.8  0.54  1.0
  Au  Au2  1  0.0  0.16  0.82  1.0
  Au  Au3  1  0.0  0.99  0.22  1.0

Ge Pd Au Au