data_TaTiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.02
_cell_length_c   2.92
_cell_angle_alpha   78.9
_cell_angle_beta   77.17
_cell_angle_gamma   23.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiIn
_chemical_formula_sum   'Ta1 Ti1 In1'
_cell_volume   57.34
_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  0.99  0.14  0.41  1.0
  Ti  Ti2  1  0.99  0.14  0.05  1.0
  In  In0  1  0.99  0.14  0.01  1.0

data_TaTiIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.97
_cell_length_b   13.47
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   132.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTiIn
_chemical_formula_sum   'Ta2 Ti2 In2'
_cell_volume   114.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.46  0.0  0.6  1.0
  Ti  Ti1  2  0.32  0.5  0.96  1.0
  In  In2  2  0.36  0.5  0.0  1.0

Ta Ti In