data_La2HfTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   5.73
_cell_angle_alpha   102.46
_cell_angle_beta   102.46
_cell_angle_gamma   32.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfTi
_chemical_formula_sum   'La2 Hf1 Ti1'
_cell_volume   107.85
_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
  La  La1  1  0.48  0.0  0.02  1.0
  La  La2  1  0.47  0.0  0.4  1.0
  Hf  Hf0  1  0.68  0.0  0.05  1.0
  Ti  Ti3  1  0.32  0.0  0.9  1.0

data_La2HfTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.73
_cell_length_c   6.01
_cell_angle_alpha   102.46
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfTi
_chemical_formula_sum   'La2 Hf1 Ti1'
_cell_volume   107.85
_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
  La  La0  1  0.0  0.02  0.48  1.0
  La  La1  1  0.0  0.4  0.47  1.0
  Hf  Hf2  1  0.0  0.05  0.68  1.0
  Ti  Ti3  1  0.0  0.9  0.32  1.0

La La Hf Ti