data_[Cs8U12S36]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [22.4125]
_cell_length_b [7.3579]
_cell_length_c [12.7058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2(US3)3]
_chemical_formula_sum '[Cs8 U12 S36]'
_cell_volume [1747.8617]
_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
[
  Cs  Cs0  8  0.1740  0.2539  0.5882  1
  U  U1  8  0.0880  0.2290  0.1786  1
  U  U2  4  0.2500  0.2500  0.0000  1
  S  S3  8  0.0207  0.1017  0.5682  1
  S  S4  8  0.1623  0.4923  0.8248  1
  S  S5  8  0.1656  0.2511  0.0856  1
  S  S6  8  0.1721  0.0060  0.3477  1
  S  S7  4  0.0000  0.2837  0.2500  1
]