data_[K4Ce4Zn2Se12]
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 [C2/m]
_cell_length_a [7.0509]
_cell_length_b [13.2057]
_cell_length_c [8.2036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ce2ZnSe6]
_chemical_formula_sum '[K4 Ce4 Zn2 Se12]'
_cell_volume [733.9573]
_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  0.1577  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3343  0.5000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2387  0.1804  0.7048  1.0
  Se  Se4  4  0.2319  0.0000  0.3251  1.0
]