data_NaHfSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   138.84
_cell_angle_beta   138.22
_cell_angle_gamma   60.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfSb2
_chemical_formula_sum   'Na1 Hf1 Sb2'
_cell_volume   93.78
_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  0.76  1.0
  Hf  Hf0  1  0.11  0.0  0.15  1.0
  Sb  Sb2  1  0.11  0.0  0.02  1.0
  Sb  Sb3  1  0.0  0.0  0.65  1.0

data_NaHfSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.28
_cell_length_c   6.0
_cell_angle_alpha   110.89
_cell_angle_beta   110.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfSb2
_chemical_formula_sum   'Na1 Hf1 Sb2'
_cell_volume   93.78
_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  0.76  0.76  1.0
  Hf  Hf1  1  0.0  0.15  0.04  1.0
  Sb  Sb2  1  0.0  0.02  0.91  1.0
  Sb  Sb3  1  0.0  0.65  0.65  1.0

Na Hf Sb Sb