data_[Li22Ti2Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.2199]
_cell_length_b [4.5696]
_cell_length_c [11.3374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li11TiSb5]
_chemical_formula_sum '[Li22 Ti2 Sb10]'
_cell_volume [696.4016]
_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
[
  Li  Li0  2  0.0175  0.0000  0.2573  1.0
  Li  Li1  2  0.1016  0.5000  0.9024  1.0
  Li  Li2  2  0.1031  0.5000  0.1524  1.0
  Li  Li3  2  0.1070  0.5000  0.6522  1.0
  Li  Li4  2  0.1973  0.0000  0.5646  1.0
  Li  Li5  2  0.1976  0.0000  0.0721  1.0
  Li  Li6  2  0.2960  0.5000  0.9300  1.0
  Li  Li7  2  0.3845  0.0000  0.8353  1.0
  Li  Li8  2  0.3931  0.0000  0.0825  1.0
  Li  Li9  2  0.4145  0.0000  0.3561  1.0
  Li  Li10  2  0.4895  0.5000  0.7443  1.0
  Ti  Ti11  2  0.2987  0.5000  0.4418  1.0
  Sb  Sb12  2  0.1137  0.5000  0.4035  1.0
  Sb  Sb13  2  0.1910  0.0000  0.8152  1.0
  Sb  Sb14  2  0.3088  0.5000  0.2105  1.0
  Sb  Sb15  2  0.3910  0.0000  0.5834  1.0
  Sb  Sb16  2  0.4951  0.5000  0.9964  1.0
]