data_[K2Nb2V2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9621]
_cell_length_b [3.5742]
_cell_length_c [9.9540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNbVSe3]
_chemical_formula_sum '[K2 Nb2 V2 Se6]'
_cell_volume [285.3085]
_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  0.2416  0.2500  0.2496  1.0
  Nb  Nb1  2  0.2966  0.7500  0.8231  1.0
  V  V2  2  0.0838  0.2500  0.5999  1.0
  Se  Se3  2  0.1028  0.2500  0.8579  1.0
  Se  Se4  2  0.2333  0.7500  0.5318  1.0
  Se  Se5  2  0.4604  0.7500  0.1286  1.0
]