data_TaTiIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.21
_cell_angle_alpha   102.61
_cell_angle_beta   102.61
_cell_angle_gamma   31.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiIn2
_chemical_formula_sum   'Ta1 Ti1 In2'
_cell_volume   81.03
_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
  Ta  Ta2  1  0.86  0.0  0.63  1.0
  Ti  Ti3  1  0.61  0.0  0.71  1.0
  In  In0  1  0.32  0.0  0.06  1.0
  In  In1  1  0.73  0.0  0.29  1.0

data_TaTiIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.21
_cell_length_c   5.51
_cell_angle_alpha   102.61
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiIn2
_chemical_formula_sum   'Ta1 Ti1 In2'
_cell_volume   81.03
_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
  Ta  Ta0  1  0.0  0.63  0.86  1.0
  Ti  Ti1  1  0.0  0.71  0.61  1.0
  In  In2  1  0.0  0.06  0.32  1.0
  In  In3  1  0.0  0.29  0.73  1.0

Ta Ti In In