data_[Ti8Sn4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4459]
_cell_length_b [5.3269]
_cell_length_c [12.0584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ti2SnSb2]
_chemical_formula_sum '[Ti8 Sn4 Sb8]'
_cell_volume [478.2772]
_cell_formula_units_Z [4]
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  0.0575  0.2500  0.7499  1
  Ti  Ti1  4  0.0728  0.2500  0.0863  1
  Sn  Sn2  4  0.1758  0.7500  0.4202  1
  Sb  Sb3  4  0.0674  0.7500  0.7005  1
  Sb  Sb4  4  0.1961  0.7500  0.0732  1
]