data_[K6Ce4Y2Se12]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4979]
_cell_length_b [12.9879]
_cell_length_c [8.0674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ce2YSe6]
_chemical_formula_sum '[K6 Ce4 Y2 Se12]'
_cell_volume [746.9200]
_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  0.1673  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  4  0.0000  0.3334  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2323  0.1629  0.2083  1
  Se  Se5  4  0.2437  0.5000  0.2082  1
]