data_[K2Ba2V2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  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 [7.1820]
_cell_length_b [7.0598]
_cell_length_c [9.4766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBaVSe4]
_chemical_formula_sum '[K2 Ba2 V2 Se8]'
_cell_volume [459.0516]
_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  0.2878  0.7500  0.0715  1.0
  Ba  Ba1  2  0.2285  0.7500  0.5415  1.0
  V  V2  2  0.1932  0.2500  0.2933  1.0
  Se  Se3  4  0.0103  0.0066  0.7607  1.0
  Se  Se4  2  0.3532  0.2500  0.5436  1.0
  Se  Se5  2  0.4024  0.2500  0.1525  1.0
]