data_[Ti4Sn4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5229]
_cell_length_b [4.4764]
_cell_length_c [11.8425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TiSnS2]
_chemical_formula_sum '[Ti4 Sn4 S8]'
_cell_volume [327.7024]
_cell_formula_units_Z [4]
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  0.2234  0.6504  0.9954  1
  Sn  Sn1  4  0.2014  0.6530  0.2460  1
  S  S2  4  0.1577  0.1821  0.0597  1
  S  S3  4  0.4052  0.1629  0.3690  1
]