data_[K2Ce2Pd2Se6]
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
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9134]
_cell_length_b [4.2673]
_cell_length_c [9.6469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCePdSe3]
_chemical_formula_sum '[K2 Ce2 Pd2 Se6]'
_cell_volume [350.5403]
_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  0.2025  0.7500  0.2409  1
  Ce  Ce1  2  0.3123  0.2500  0.8404  1
  Pd  Pd2  2  0.0903  0.7500  0.5824  1
  Se  Se3  2  0.1119  0.7500  0.8652  1
  Se  Se4  2  0.2124  0.2500  0.5308  1
  Se  Se5  2  0.4611  0.2500  0.1564  1
]