[CIF]
data_TiSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09842166
_cell_length_b   9.07640312
_cell_length_c   9.07640312
_cell_angle_alpha   20.98529630
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn5
_chemical_formula_sum   'Ti1 Sn5'
_cell_volume   150.41876225
_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
  Sn  Sn0  1  2.54921083  0.00000000  17.75876029  1
  Sn  Sn1  1  2.54921083  -0.00000000  11.71018971  1
  Sn  Sn2  1  2.54921083  -0.00000000  6.17668810  1
  Sn  Sn3  1  0.00000000  0.00000000  9.57703820  1
  Sn  Sn4  1  0.00000000  -0.00000000  4.28029274  1
  Ti  Ti5  1  0.00000000  -0.00000000  15.94431820  1
[/CIF]
