data_[Cs4U4S16]
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/m]
_cell_length_a [14.8460]
_cell_length_b [7.5854]
_cell_length_c [7.2698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsUS4]
_chemical_formula_sum '[Cs4 U4 S16]'
_cell_volume [812.4821]
_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  4  0.1990  0.0000  0.1918  1
  U  U1  4  0.0392  0.5000  0.2684  1
  S  S2  8  0.0695  0.2586  0.5403  1
  S  S3  4  0.0000  0.2750  0.0000  1
  S  S4  4  0.2040  0.5000  0.2638  1
]