data_[Cs8U4S20]
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 [Cmcm]
_cell_length_a [5.2415]
_cell_length_b [18.0115]
_cell_length_c [15.6310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs2US5]
_chemical_formula_sum '[Cs8 U4 S20]'
_cell_volume [1475.6711]
_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  0.0000  0.1547  0.5865  1
  U  U1  4  0.0000  0.1619  0.2500  1
  S  S2  8  0.0000  0.0280  0.1837  1
  S  S3  8  0.0000  0.2340  0.1162  1
  S  S4  4  0.0000  0.3274  0.7500  1
]