data_[K4Ce4V2Se12]
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
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0960]
_cell_length_b [12.1155]
_cell_length_c [8.2254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ce2VSe6]
_chemical_formula_sum '[K4 Ce4 V2 Se12]'
_cell_volume [675.4458]
_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  0.1720  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3332  0.5000  1.0
  V  V2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2237  0.1541  0.6977  1.0
  Se  Se4  4  0.2376  0.0000  0.3042  1.0
]