data_NaLaHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   5.7
_cell_angle_alpha   102.91
_cell_angle_beta   102.91
_cell_angle_gamma   30.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaHf2
_chemical_formula_sum   'Na1 La1 Hf2'
_cell_volume   106.46
_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  0.23  0.0  0.77  1.0
  Hf  Hf0  1  0.51  0.0  0.52  1.0
  Hf  Hf1  1  0.95  0.0  0.03  1.0

data_NaLaHf2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.7
_cell_length_c   6.11
_cell_angle_alpha   102.91
_cell_angle_beta   105.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaHf2
_chemical_formula_sum   'Na1 La1 Hf2'
_cell_volume   106.46
_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  0.77  0.23  1.0
  Hf  Hf2  1  0.0  0.03  0.95  1.0
  Hf  Hf3  1  0.0  0.52  0.51  1.0

Na La Hf Hf