data_TiIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   134.62
_cell_angle_beta   134.62
_cell_angle_gamma   66.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Sn
_chemical_formula_sum   'Ti1 In2 Sn1'
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.16  0.0  0.35  1.0
  In  In1  1  0.0  0.0  0.7  1.0
  Sn  Sn2  1  0.0  0.16  0.35  1.0

data_TiIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.61
_cell_angle_alpha   112.69
_cell_angle_beta   112.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Sn
_chemical_formula_sum   'Ti1 In2 Sn1'
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.35  0.19  0.19  1.0
  In  In2  1  0.7  0.7  0.7  1.0
  Sn  Sn3  1  0.19  0.35  0.19  1.0

Ti In In Sn