data_LaTi2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.26
_cell_angle_alpha   106.88
_cell_angle_beta   106.88
_cell_angle_gamma   32.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2In
_chemical_formula_sum   'La1 Ti2 In1'
_cell_volume   89.05
_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  0.88  0.0  0.09  1.0
  Ti  Ti2  1  0.68  0.0  0.01  1.0
  Ti  Ti3  1  0.74  0.0  0.61  1.0
  In  In0  1  0.81  0.0  0.81  1.0

data_LaTi2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.26
_cell_length_c   5.73
_cell_angle_alpha   106.88
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2In
_chemical_formula_sum   'La1 Ti2 In1'
_cell_volume   89.05
_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  0.09  0.88  1.0
  Ti  Ti1  1  0.0  0.01  0.68  1.0
  Ti  Ti2  1  0.0  0.61  0.74  1.0
  In  In3  1  0.0  0.81  0.81  1.0

La Ti Ti In