data_[V8Se8O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3134]
_cell_length_b [5.5084]
_cell_length_c [9.5833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V2Se2O11]
_chemical_formula_sum '[V8 Se8 O44]'
_cell_volume [746.5315]
_cell_formula_units_Z [4]
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
[
  V  V0  8  0.1226  0.0869  0.7893  1
  Se  Se1  8  0.1448  0.3757  0.0970  1
  O  O2  8  0.0857  0.3891  0.6186  1
  O  O3  8  0.0885  0.1179  0.1092  1
  O  O4  8  0.1494  0.3780  0.9242  1
  O  O5  8  0.1575  0.1165  0.4179  1
  O  O6  8  0.2451  0.1457  0.7694  1
  O  O7  4  0.0000  0.1102  0.7500  1
]