data_HfNb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   146.0
_cell_angle_beta   132.24
_cell_angle_gamma   59.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Ru
_chemical_formula_sum   'Hf1 Nb2 Ru1'
_cell_volume   70.82
_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  0.0  0.82  1.0
  Nb  Nb1  1  0.0  0.25  0.52  1.0
  Nb  Nb2  1  0.63  0.0  0.3  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HfNb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.51
_cell_length_c   5.57
_cell_angle_alpha   113.88
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Ru
_chemical_formula_sum   'Hf1 Nb2 Ru1'
_cell_volume   70.82
_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  0.18  0.18  0.18  1.0
  Nb  Nb1  1  0.32  0.7  0.32  1.0
  Nb  Nb2  1  0.48  0.73  0.73  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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