data_Ge2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.71
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PdRu
_chemical_formula_sum   'Ge2 Pd1 Ru1'
_cell_volume   61.3
_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  0.58  0.85  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.53  1.0
  Pd  Pd2  1  0.58  0.85  0.38  1.0
  Ru  Ru3  1  0.0  0.0  0.19  1.0

data_Ge2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.71
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PdRu
_chemical_formula_sum   'Ge2 Pd1 Ru1'
_cell_volume   61.3
_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  0.0  0.53  1.0
  Ge  Ge1  1  0.58  0.85  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.19  1.0
  Pd  Pd3  1  0.58  0.85  0.38  1.0

Ge Ge Pd Ru
Ge Ge Pd Ru 0 3 o + o 0 3 + + o 0 2 o o o 1 2 - - o 1 2 o - o 1 3 o o o 2 3 + + o 