data_La2TaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   144.15
_cell_angle_beta   129.25
_cell_angle_gamma   63.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTi
_chemical_formula_sum   'La2 Ta1 Ti1'
_cell_volume   96.44
_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  0.57  0.54  1.0
  La  La1  1  0.84  0.0  0.55  1.0
  Ta  Ta2  1  0.0  0.0  0.09  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_La2TaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.14
_cell_length_c   5.99
_cell_angle_alpha   115.38
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTi
_chemical_formula_sum   'La2 Ta1 Ti1'
_cell_volume   96.44
_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  0.29  0.45  0.29  1.0
  La  La1  1  0.46  0.03  0.03  1.0
  Ta  Ta2  1  0.91  0.91  0.91  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

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