data_[Ti10Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0690]
_cell_length_b [15.7796]
_cell_length_c [5.2442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TiSb]
_chemical_formula_sum '[Ti10 Sb10]'
_cell_volume [419.4650]
_cell_formula_units_Z [10]
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  0.2061  0.2723  1
  Ti  Ti1  4  0.5000  0.1930  0.7746  1
  Ti  Ti2  2  0.5000  0.0000  0.9153  1
  Sb  Sb3  4  0.0000  0.1157  0.7632  1
  Sb  Sb4  4  0.5000  0.1307  0.2799  1
  Sb  Sb5  2  0.0000  0.0000  0.2386  1
]