data_TaTiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   146.51
_cell_angle_beta   138.98
_cell_angle_gamma   53.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiIn
_chemical_formula_sum   'Ta1 Ti1 In1'
_cell_volume   56.95
_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  Ta1  1  0.0  0.0  0.51  1.0
  Ti  Ti2  1  0.0  0.0  0.15  1.0
  In  In0  1  0.0  0.0  0.62  1.0

data_TaTiIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.79
_cell_length_c   5.41
_cell_angle_alpha   110.51
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiIn
_chemical_formula_sum   'Ta1 Ti1 In1'
_cell_volume   56.95
_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  0.51  0.51  1.0
  Ti  Ti1  1  0.0  0.15  0.15  1.0
  In  In2  1  0.0  0.62  0.62  1.0

Ta Ti In