data_[Ti16In4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2645]
_cell_length_b [3.9858]
_cell_length_c [6.9054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8In2Sb]
_chemical_formula_sum '[Ti16 In4 Sb2]'
_cell_volume [401.9543]
_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  4  0.0511  0.0000  0.7303  1.0
  Ti  Ti1  4  0.0799  0.5000  0.4428  1.0
  Ti  Ti2  4  0.1295  0.0000  0.1825  1.0
  Ti  Ti3  4  0.1818  0.5000  0.9288  1.0
  In  In4  4  0.2245  0.0000  0.6409  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
]