data_[Cs4Ti2Cu4S8]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0096]
_cell_length_b [3.8039]
_cell_length_c [8.0567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ti(CuS2)2]
_chemical_formula_sum '[Cs4 Ti2 Cu4 S8]'
_cell_volume [411.1501]
_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  4  0.1385  0.0000  0.5659  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1780  0.5000  0.9836  1.0
  S  S3  4  0.0174  0.5000  0.8003  1.0
  S  S4  4  0.1845  0.0000  0.1527  1.0
]