data_[Cs6Ce6Ru2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2752]
_cell_length_b [8.3110]
_cell_length_c [8.6374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ce3RuSe8]
_chemical_formula_sum '[Cs6 Ce6 Ru2 Se16]'
_cell_volume [1024.7359]
_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  0.2500  0.2500  0.0000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Ce  Ce2  4  0.2500  0.2500  0.5000  1
  Ce  Ce3  2  0.0000  0.5000  0.5000  1
  Ru  Ru4  2  0.0000  0.0000  0.5000  1
  Se  Se5  8  0.0768  0.2273  0.6731  1
  Se  Se6  4  0.1522  0.0000  0.3233  1
  Se  Se7  4  0.1661  0.5000  0.3084  1
]