data_[Cs2U8Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5860]
_cell_length_b [4.2162]
_cell_length_c [13.4863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(USe2)4]
_chemical_formula_sum '[Cs2 U8 Se16]'
_cell_volume [851.5378]
_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  2  0.0000  0.0000  0.5000  1
  U  U1  4  0.1474  0.0000  0.9686  1
  U  U2  4  0.1633  0.5000  0.3295  1
  Se  Se3  4  0.0386  0.0000  0.2578  1
  Se  Se4  4  0.1245  0.5000  0.0850  1
  Se  Se5  4  0.1662  0.5000  0.8441  1
  Se  Se6  4  0.2093  0.5000  0.5763  1
]