data_NaHfNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfNb2
_chemical_formula_sum   'Na1 Hf1 Nb2'
_cell_volume   85.61
_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  0.0  0.0  0.58  1.0
  Hf  Hf0  1  0.69  0.0  0.66  1.0
  Nb  Nb2  1  0.69  0.0  0.21  1.0
  Nb  Nb3  1  0.0  0.0  0.02  1.0

data_NaHfNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfNb2
_chemical_formula_sum   'Na1 Hf1 Nb2'
_cell_volume   85.61
_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  Na0  1  0.0  0.0  0.58  1.0
  Hf  Hf1  1  0.69  0.0  0.66  1.0
  Nb  Nb2  1  0.0  0.0  0.02  1.0
  Nb  Nb3  1  0.69  0.0  0.21  1.0

Na Hf Nb Nb