data_Ta2TiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiSn
_chemical_formula_sum   'Ta2 Ti1 Sn1'
_cell_volume   76.58
_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  0.95  1.0
  Ta  Ta2  1  0.74  0.0  0.74  1.0
  Ti  Ti3  1  0.0  0.0  0.6  1.0
  Sn  Sn0  1  0.74  0.0  0.28  1.0

data_Ta2TiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiSn
_chemical_formula_sum   'Ta2 Ti1 Sn1'
_cell_volume   76.58
_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  0.0  0.95  1.0
  Ta  Ta1  1  0.74  0.0  0.74  1.0
  Ti  Ti2  1  0.0  0.0  0.6  1.0
  Sn  Sn3  1  0.74  0.0  0.28  1.0

Ta Ta Ti Sn
Ta Ta Ti Sn 0 1 - o o 0 3 - o + 1 2 + o o 2 3 o o o 2 3 - o o 3 3 + + o 3 3 o + o 3 3 + o o 