data_[Cs4U4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9623]
_cell_length_b [9.1804]
_cell_length_c [10.8731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsUCl5]
_chemical_formula_sum '[Cs4 U4 Cl20]'
_cell_volume [1191.3368]
_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  0.0000  0.4624  0.2500  1
  U  U1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0659  0.2687  0.0020  1
  Cl  Cl3  8  0.2041  0.0861  0.6037  1
  Cl  Cl4  4  0.0000  0.0490  0.2500  1
]