data_TiTl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   3.33
_cell_angle_alpha   105.21
_cell_angle_beta   105.21
_cell_angle_gamma   120.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Sn
_chemical_formula_sum   'Ti1 Tl2 Sn1'
_cell_volume   97.12
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.69  0.73  0.42  1.0
  Tl  Tl3  1  0.69  0.27  0.42  1.0
  Sn  Sn0  1  0.14  0.0  0.0  1.0

data_TiTl2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.34
_cell_length_c   6.3
_cell_angle_alpha   114.98
_cell_angle_beta   105.21
_cell_angle_gamma   90.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Sn
_chemical_formula_sum   'Ti1 Tl2 Sn1'
_cell_volume   97.12
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.15  0.73  0.42  1.0
  Tl  Tl2  1  0.68  0.27  0.96  1.0
  Sn  Sn3  1  0.0  0.0  0.14  1.0

Ti Tl Tl Sn