data_[K2Ce2Cu2Se6]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1415]
_cell_length_b [4.1718]
_cell_length_c [9.5394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCeCuSe3]
_chemical_formula_sum '[K2 Ce2 Cu2 Se6]'
_cell_volume [347.2146]
_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  0.2003  0.7500  0.2418  1
  Ce  Ce1  2  0.3183  0.2500  0.8352  1
  Cu  Cu2  2  0.0822  0.7500  0.5911  1
  Se  Se3  2  0.1127  0.7500  0.8571  1
  Se  Se4  2  0.2014  0.2500  0.5263  1
  Se  Se5  2  0.4571  0.2500  0.1567  1
]