data_La2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   5.37
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Hf
_chemical_formula_sum   'La8 Hf4'
_cell_volume   372.8
_cell_formula_units_Z   4
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
  La  La4  1  0.39  0.34  0.23  1.0
  La  La5  1  0.17  0.34  0.69  1.0
  La  La6  1  0.23  0.03  0.59  1.0
  La  La7  1  0.01  0.03  0.32  1.0
  La  La8  1  0.79  0.34  0.87  1.0
  La  La9  1  0.57  0.34  0.6  1.0
  La  La10  1  0.64  0.03  0.51  1.0
  La  La11  1  0.41  0.03  0.97  1.0
  Hf  Hf0  1  0.3  0.34  0.95  1.0
  Hf  Hf1  1  0.1  0.03  0.85  1.0
  Hf  Hf2  1  0.7  0.34  0.34  1.0
  Hf  Hf3  1  0.5  0.03  0.25  1.0

data_La2Hf
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.37
_cell_length_b   6.81
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La2Hf
_chemical_formula_sum   'La8 Hf4'
_cell_volume   372.8
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  La  La0  2  0.34  0.11  0.73  1.0
  La  La1  2  0.34  0.33  0.99  1.0
  La  La2  2  0.34  0.51  0.37  1.0
  La  La3  2  0.34  0.73  0.91  1.0
  Hf  Hf4  2  0.34  0.2  0.25  1.0
  Hf  Hf5  2  0.34  0.6  0.65  1.0

La La La La La La La La Hf Hf Hf Hf