data_YHfNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   144.37
_cell_angle_beta   144.37
_cell_angle_gamma   51.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfNb
_chemical_formula_sum   'Y1 Hf1 Nb1'
_cell_volume   72.45
_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  Y2  1  0.0  0.0  0.56  1.0
  Hf  Hf0  1  0.0  0.0  0.36  1.0
  Nb  Nb1  1  0.0  0.0  0.87  1.0

data_YHfNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   115.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHfNb
_chemical_formula_sum   'Y2 Hf2 Nb2'
_cell_volume   144.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.44  1.0
  Hf  Hf1  2  0.0  0.0  0.64  1.0
  Nb  Nb2  2  0.0  0.0  0.13  1.0

Y Hf Nb