data_[Cs4U4Ti2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  U  1.3800  1.7500  0.9913
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7321]
_cell_length_b [11.5565]
_cell_length_c [8.6051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2U2TiS6]
_chemical_formula_sum '[Cs4 U4 Ti2 S12]'
_cell_volume [646.1948]
_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  0.0000  0.1679  0.0000  1
  U  U1  4  0.0000  0.3334  0.5000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2180  0.1577  0.6758  1
  S  S4  4  0.2445  0.5000  0.6749  1
]