data_[K4Ce8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2839]
_cell_length_b [14.0730]
_cell_length_c [14.4518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K(CeSe2)2]
_chemical_formula_sum '[K4 Ce8 Se16]'
_cell_volume [871.2517]
_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
[
  K  K0  4  0.0000  0.3915  0.2500  1.0
  Ce  Ce1  8  0.0000  0.1345  0.0681  1.0
  Se  Se2  8  0.0000  0.2352  0.6086  1.0
  Se  Se3  4  0.0000  0.0684  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]