data_[Ti8Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.4951]
_cell_length_b [5.7326]
_cell_length_c [10.1776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TiSn]
_chemical_formula_sum '[Ti8 Sn8]'
_cell_volume [320.6083]
_cell_formula_units_Z [8]
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  4  0.1453  0.0099  0.3614  1
  Ti  Ti1  4  0.1476  0.7492  0.6321  1
  Sn  Sn2  4  0.1362  0.2457  0.6264  1
  Sn  Sn3  4  0.1369  0.5254  0.3773  1
]