data_[Cs6U4Se8]
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 [17.9636]
_cell_length_b [4.0116]
_cell_length_c [10.6793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(USe2)2]
_chemical_formula_sum '[Cs6 U4 Se8]'
_cell_volume [662.3814]
_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  4  0.1210  0.5000  0.7406  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  U  U2  4  0.2179  0.5000  0.4094  1
  Se  Se3  4  0.0968  0.0000  0.3991  1
  Se  Se4  4  0.1882  0.5000  0.1377  1
]