data_HfGeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.94
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeRu2
_chemical_formula_sum   'Hf1 Ge1 Ru2'
_cell_volume   63.89
_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
  Hf  Hf1  1  0.54  0.97  0.06  1.0
  Ge  Ge0  1  0.0  0.0  0.46  1.0
  Ru  Ru2  1  0.0  0.0  0.15  1.0
  Ru  Ru3  1  0.54  0.97  0.51  1.0

data_HfGeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.94
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeRu2
_chemical_formula_sum   'Hf1 Ge1 Ru2'
_cell_volume   63.89
_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
  Hf  Hf0  1  0.54  0.97  0.06  1.0
  Ge  Ge1  1  0.0  0.0  0.46  1.0
  Ru  Ru2  1  0.0  0.0  0.15  1.0
  Ru  Ru3  1  0.54  0.97  0.51  1.0

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