data_[Ti6S11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.4486]
_cell_length_b [8.4486]
_cell_length_c [18.9037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Ti6S11]
_chemical_formula_sum '[Ti6 S11]'
_cell_volume [1168.5358]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.4975  1
  Ti  Ti1  2  0.3333  0.6667  0.6076  1
  Ti  Ti2  1  0.0000  0.0000  0.4286  1
  S  S3  6  0.0000  0.2979  0.4191  1
  S  S4  3  0.0000  0.5000  0.6256  1
  S  S5  2  0.3333  0.6667  0.4862  1
]