data_YHf2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   142.74
_cell_angle_beta   130.78
_cell_angle_gamma   63.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Nb
_chemical_formula_sum   'Y1 Hf2 Nb1'
_cell_volume   92.5
_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
  Y  Y3  1  0.0  0.0  0.37  1.0
  Hf  Hf0  1  0.88  0.0  0.02  1.0
  Hf  Hf1  1  0.0  0.0  0.81  1.0
  Nb  Nb2  1  0.88  0.0  0.84  1.0

data_YHf2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.9
_cell_length_c   5.89
_cell_angle_alpha   114.61
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Nb
_chemical_formula_sum   'Y1 Hf2 Nb1'
_cell_volume   92.5
_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
  Y  Y0  1  0.0  0.37  0.37  1.0
  Hf  Hf1  1  0.0  0.02  0.14  1.0
  Hf  Hf2  1  0.0  0.81  0.81  1.0
  Nb  Nb3  1  0.0  0.84  0.96  1.0

Y Hf Hf Nb