data_[K4Ce4Co2Se12]
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
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0783]
_cell_length_b [11.9326]
_cell_length_c [8.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ce2CoSe6]
_chemical_formula_sum '[K4 Ce4 Co2 Se12]'
_cell_volume [663.7800]
_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
[
  K  K0  4  0.0000  0.1732  0.0000  1
  Ce  Ce1  4  0.0000  0.3308  0.5000  1
  Co  Co2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2212  0.1482  0.6945  1
  Se  Se4  4  0.2218  0.0000  0.3151  1
]