data_YHfNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   2.98
_cell_angle_alpha   99.19
_cell_angle_beta   99.19
_cell_angle_gamma   117.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfNb2
_chemical_formula_sum   'Y1 Hf1 Nb2'
_cell_volume   85.48
_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  0.0  1.0
  Hf  Hf0  1  0.03  0.0  0.0  1.0
  Nb  Nb1  1  0.06  0.52  0.42  1.0
  Nb  Nb2  1  0.06  0.48  0.42  1.0

data_YHfNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   117.2
_cell_angle_beta   99.19
_cell_angle_gamma   99.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfNb2
_chemical_formula_sum   'Y1 Hf1 Nb2'
_cell_volume   85.48
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.03  0.0  1.0
  Nb  Nb2  1  0.42  0.06  0.52  1.0
  Nb  Nb3  1  0.42  0.06  0.48  1.0

Y Hf Nb Nb