data_LaTaTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   6.1
_cell_angle_alpha   93.94
_cell_angle_beta   93.94
_cell_angle_gamma   34.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaTi2
_chemical_formula_sum   'La1 Ta1 Ti2'
_cell_volume   88.13
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.62  0.0  0.04  1.0
  Ti  Ti2  1  0.98  0.0  0.19  1.0
  Ti  Ti3  1  0.26  0.0  0.89  1.0

data_LaTaTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.06
_cell_length_c   6.1
_cell_angle_alpha   93.94
_cell_angle_beta   90.0
_cell_angle_gamma   107.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaTi2
_chemical_formula_sum   'La1 Ta1 Ti2'
_cell_volume   88.13
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.38  0.96  1.0
  Ti  Ti2  1  0.0  0.02  0.81  1.0
  Ti  Ti3  1  0.0  0.74  0.11  1.0

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