data_[Ti16Sn2Sb4]
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 [C2/m]
_cell_length_a [7.2539]
_cell_length_b [12.5498]
_cell_length_c [5.0764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8SnSb2]
_chemical_formula_sum '[Ti16 Sn2 Sb4]'
_cell_volume [417.5116]
_cell_formula_units_Z [2]
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  0.2022  0.1072  0.1471  1
  Ti  Ti1  4  0.0000  0.2254  0.5000  1
  Ti  Ti2  4  0.0812  0.5000  0.3030  1
  Sn  Sn3  2  0.0000  0.0000  0.5000  1
  Sb  Sb4  4  0.0000  0.3043  0.0000  1
]