data_[V4Se4O20]
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 [7.5341]
_cell_length_b [7.8182]
_cell_length_c [7.1812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [VSeO5]
_chemical_formula_sum '[V4 Se4 O20]'
_cell_volume [371.7473]
_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  4  0.0000  0.5000  0.0000  1
  Se  Se1  4  0.0000  0.1262  0.7500  1
  O  O2  8  0.0079  0.2431  0.9503  1
  O  O3  8  0.1940  0.0102  0.3437  1
  O  O4  4  0.0000  0.4560  0.2500  1
]