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 [Pmmn]
_cell_length_a [5.0261]
_cell_length_b [12.0228]
_cell_length_c [5.3331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [TiSn]
_chemical_formula_sum '[Ti8 Sn8]'
_cell_volume [322.2667]
_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  0.0000  0.1122  0.1837  1
  Ti  Ti1  2  0.0000  0.0000  0.6590  1
  Ti  Ti2  2  0.0000  0.5000  0.6649  1
  Sn  Sn3  4  0.0000  0.2485  0.6678  1
  Sn  Sn4  4  0.0000  0.3780  0.1557  1
]