data_La2TaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.8
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTi
_chemical_formula_sum   'La2 Ta1 Ti1'
_cell_volume   104.27
_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  0.68  0.4  0.39  1.0
  La  La1  1  0.96  0.0  0.96  1.0
  Ta  Ta2  1  0.65  0.4  0.62  1.0
  Ti  Ti3  1  0.97  0.0  0.74  1.0

data_La2TaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.8
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTi
_chemical_formula_sum   'La2 Ta1 Ti1'
_cell_volume   104.27
_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  0.68  0.4  0.39  1.0
  La  La1  1  0.96  0.0  0.96  1.0
  Ta  Ta2  1  0.65  0.4  0.62  1.0
  Ti  Ti3  1  0.97  0.0  0.74  1.0

La La Ta Ti
La La Ta Ti 0 2 o o o 1 3 o o o 