data_TaTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   137.24
_cell_angle_beta   124.34
_cell_angle_gamma   72.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiSn2
_chemical_formula_sum   'Ta1 Ti1 Sn2'
_cell_volume   80.25
_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  0.0  0.0  0.25  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.0  0.46  0.16  1.0
  Sn  Sn1  1  0.92  0.0  0.08  1.0

data_TaTiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.92
_cell_length_c   5.27
_cell_angle_alpha   117.83
_cell_angle_beta   111.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiSn2
_chemical_formula_sum   'Ta1 Ti1 Sn2'
_cell_volume   80.25
_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  0.75  0.75  0.75  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.84  0.3  0.3  1.0
  Sn  Sn3  1  0.84  0.92  0.84  1.0

Ta Ti Sn Sn