data_[Cs2Ba2V2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.1801]
_cell_length_b [7.2096]
_cell_length_c [10.1941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaVSe4]
_chemical_formula_sum '[Cs2 Ba2 V2 Se8]'
_cell_volume [501.6021]
_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
[
  Cs  Cs0  2  0.2957  0.2500  0.0758  1.0
  Ba  Ba1  2  0.2294  0.2500  0.5368  1.0
  V  V2  2  0.1857  0.7500  0.3081  1.0
  Se  Se3  4  0.0168  0.5034  0.7420  1.0
  Se  Se4  2  0.3528  0.7500  0.5409  1.0
  Se  Se5  2  0.3929  0.7500  0.1773  1.0
]