data_TaTi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   134.67
_cell_angle_beta   134.67
_cell_angle_gamma   66.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Sn
_chemical_formula_sum   'Ta1 Ti2 Sn1'
_cell_volume   73.55
_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  0.04  0.22  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.04  0.0  0.22  1.0
  Sn  Sn0  1  0.0  0.0  0.43  1.0

data_TaTi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.29
_cell_angle_alpha   112.66
_cell_angle_beta   112.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Sn
_chemical_formula_sum   'Ta1 Ti2 Sn1'
_cell_volume   73.55
_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  0.18  0.22  0.18  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.22  0.18  0.18  1.0
  Sn  Sn3  1  0.43  0.43  0.43  1.0

Ta Ti Ti Sn