data_LaTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2
_chemical_formula_sum   'La4 Ti8'
_cell_volume   285.0
_cell_formula_units_Z   4
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  0.33  0.6  1.0
  La  La1  1  0.0  0.33  0.35  1.0
  La  La2  1  0.88  0.66  0.55  1.0
  La  La3  1  0.88  0.66  0.3  1.0
  Ti  Ti4  1  0.0  0.0  0.0  1.0
  Ti  Ti5  1  0.0  0.0  0.95  1.0
  Ti  Ti6  1  0.0  0.54  0.42  1.0
  Ti  Ti7  1  0.45  0.22  0.42  1.0
  Ti  Ti8  1  0.34  0.77  0.47  1.0
  Ti  Ti9  1  0.55  0.22  0.42  1.0
  Ti  Ti10  1  0.43  0.77  0.47  1.0
  Ti  Ti11  1  0.88  0.45  0.47  1.0

data_LaTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2
_chemical_formula_sum   'La4 Ti8'
_cell_volume   285.0
_cell_formula_units_Z   4
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  0.33  0.35  1.0
  La  La1  1  0.0  0.33  0.6  1.0
  La  La2  1  0.88  0.66  0.3  1.0
  La  La3  1  0.88  0.66  0.55  1.0
  Ti  Ti4  1  0.0  0.0  0.0  1.0
  Ti  Ti5  1  0.0  0.0  0.95  1.0
  Ti  Ti6  1  0.0  0.54  0.42  1.0
  Ti  Ti7  1  0.34  0.77  0.47  1.0
  Ti  Ti8  1  0.43  0.77  0.47  1.0
  Ti  Ti9  1  0.45  0.22  0.42  1.0
  Ti  Ti10  1  0.55  0.22  0.42  1.0
  Ti  Ti11  1  0.88  0.45  0.47  1.0

La La La La Ti Ti Ti Ti Ti Ti Ti Ti