data_NaHfNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.46
_cell_length_c   2.96
_cell_angle_alpha   83.25
_cell_angle_beta   76.86
_cell_angle_gamma   19.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfNb
_chemical_formula_sum   'Na1 Hf1 Nb1'
_cell_volume   68.45
_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
  Na  Na1  1  0.71  0.41  0.09  1.0
  Hf  Hf0  1  0.71  0.41  0.29  1.0
  Nb  Nb2  1  0.71  0.41  0.76  1.0

data_NaHfNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.43
_cell_length_b   16.57
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   125.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHfNb
_chemical_formula_sum   'Na2 Hf2 Nb2'
_cell_volume   136.9
_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
  Na  Na0  2  0.21  0.5  0.8  1.0
  Hf  Hf1  2  0.21  0.5  0.01  1.0
  Nb  Nb2  2  0.21  0.5  0.48  1.0

Na Hf Nb