data_[V12O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.1787]
_cell_length_b [5.1957]
_cell_length_c [7.1090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [V3O5]
_chemical_formula_sum '[V12 O20]'
_cell_volume [348.1284]
_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  0.1286  0.4984  0.2184  1
  V  V1  4  0.3698  0.0030  0.2777  1
  V  V2  4  0.4972  0.4941  0.0013  1
  O  O3  4  0.0762  0.3492  0.4398  1
  O  O4  4  0.1983  0.1431  0.1655  1
  O  O5  4  0.3131  0.3383  0.8372  1
  O  O6  4  0.4187  0.1529  0.5555  1
  O  O7  4  0.4981  0.3012  0.2546  1
]