data_[K2La4Ce6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8407]
_cell_length_b [4.2606]
_cell_length_c [8.7016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLa2(CeSe2)3]
_chemical_formula_sum '[K2 La4 Ce6 Se12]'
_cell_volume [677.8965]
_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  2  0.0000  0.5000  0.0000  1
  La  La1  4  0.1692  0.0000  0.3381  1
  Ce  Ce2  4  0.1651  0.0000  0.8292  1
  Ce  Ce3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0002  0.0000  0.2652  1
  Se  Se5  4  0.1639  0.5000  0.5861  1
  Se  Se6  4  0.1713  0.5000  0.0810  1
]