data_NaLaHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   3.13
_cell_angle_alpha   102.61
_cell_angle_beta   102.61
_cell_angle_gamma   122.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaHf2
_chemical_formula_sum   'Na1 La1 Hf2'
_cell_volume   104.05
_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  Na3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.19  0.0  0.0  1.0
  Hf  Hf0  1  0.88  0.93  0.39  1.0
  Hf  Hf1  1  0.88  0.07  0.39  1.0

data_NaLaHf2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.68
_cell_length_c   6.68
_cell_angle_alpha   114.61
_cell_angle_beta   102.61
_cell_angle_gamma   92.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaHf2
_chemical_formula_sum   'Na1 La1 Hf2'
_cell_volume   104.05
_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  0.0  1.0
  La  La1  1  0.0  0.0  0.19  1.0
  Hf  Hf2  1  0.32  0.93  0.81  1.0
  Hf  Hf3  1  0.46  0.07  0.95  1.0

Na La Hf Hf