data_[K2Ce2Zn2Se6]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2601]
_cell_length_b [4.2583]
_cell_length_c [9.9573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCeZnSe3]
_chemical_formula_sum '[K2 Ce2 Zn2 Se6]'
_cell_volume [378.4635]
_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  0.1992  0.2500  0.2278  1.0
  Ce  Ce1  2  0.3299  0.7500  0.8516  1.0
  Zn  Zn2  2  0.0829  0.2500  0.6060  1.0
  Se  Se3  2  0.1045  0.2500  0.8555  1.0
  Se  Se4  2  0.1940  0.7500  0.5276  1.0
  Se  Se5  2  0.4519  0.7500  0.1570  1.0
]