data_[Ti8Nb24Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1338]
_cell_length_b [9.4075]
_cell_length_c [8.2133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiNb3Sn]
_chemical_formula_sum '[Ti8 Nb24 Sn8]'
_cell_volume [746.1327]
_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  8  0.1134  0.3756  0.6551  1.0
  Nb  Nb1  8  0.1083  0.1260  0.1570  1.0
  Nb  Nb2  8  0.1924  0.1215  0.5440  1.0
  Nb  Nb3  8  0.1943  0.3714  0.0449  1.0
  Sn  Sn4  4  0.0000  0.1299  0.7500  1.0
  Sn  Sn5  4  0.0000  0.3802  0.2500  1.0
]