data_LiLa2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   5.37
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Hf
_chemical_formula_sum   'Li1 La2 Hf1'
_cell_volume   113.16
_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
  Li  Li3  1  0.59  0.0  0.07  1.0
  La  La1  1  0.22  0.0  0.81  1.0
  La  La2  1  0.17  0.68  0.93  1.0
  Hf  Hf0  1  0.45  0.68  0.75  1.0

data_LiLa2Hf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.37
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Hf
_chemical_formula_sum   'Li1 La2 Hf1'
_cell_volume   113.16
_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
  Li  Li0  1  0.59  0.0  0.07  1.0
  La  La1  1  0.17  0.68  0.93  1.0
  La  La2  1  0.22  0.0  0.81  1.0
  Hf  Hf3  1  0.45  0.68  0.75  1.0

Li La La Hf