data_HfCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.89
_cell_angle_alpha   103.4
_cell_angle_beta   103.4
_cell_angle_gamma   112.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdRu2
_chemical_formula_sum   'Hf1 Cd1 Ru2'
_cell_volume   67.96
_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  0.93  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.86  0.79  0.31  1.0
  Ru  Ru3  1  0.86  0.21  0.31  1.0

data_HfCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   112.94
_cell_angle_beta   103.4
_cell_angle_gamma   103.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdRu2
_chemical_formula_sum   'Hf1 Cd1 Ru2'
_cell_volume   67.96
_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  0.0  0.93  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.31  0.86  0.21  1.0
  Ru  Ru3  1  0.31  0.86  0.79  1.0

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