data_[Cs8Ti2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.3866]
_cell_length_b [10.3866]
_cell_length_c [7.1457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Cs4TiS5]
_chemical_formula_sum '[Cs8 Ti2 S10]'
_cell_volume [770.8948]
_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
[
  Cs  Cs0  8  0.0791  0.7032  0.5091  1
  Ti  Ti1  2  0.0000  0.0000  0.0898  1
  S  S2  8  0.0665  0.7918  0.9950  1
  S  S3  2  0.0000  0.0000  0.4041  1
]