data_TaTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiSn2
_chemical_formula_sum   'Ta1 Ti1 Sn2'
_cell_volume   86.64
_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  0.94  0.0  0.6  1.0
  Ti  Ti3  1  0.0  0.0  0.56  1.0
  Sn  Sn0  1  0.94  0.0  0.29  1.0
  Sn  Sn1  1  0.0  0.0  0.88  1.0

data_TaTiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiSn2
_chemical_formula_sum   'Ta1 Ti1 Sn2'
_cell_volume   86.64
_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  0.94  0.0  0.6  1.0
  Ti  Ti1  1  0.0  0.0  0.56  1.0
  Sn  Sn2  1  0.0  0.0  0.88  1.0
  Sn  Sn3  1  0.94  0.0  0.29  1.0

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