data_[V16O18]
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 [Cm]
_cell_length_a [9.8333]
_cell_length_b [11.2933]
_cell_length_c [18.9335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V8O9]
_chemical_formula_sum '[V16 O18]'
_cell_volume [2102.5585]
_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
[
  V  V0  4  0.0515  0.3803  0.3684  1
  V  V1  4  0.1362  0.3477  0.5162  1
  V  V2  4  0.3186  0.1310  0.5299  1
  V  V3  4  0.4532  0.3557  0.4840  1
  O  O4  4  0.0003  0.4316  0.5761  1
  O  O5  4  0.1447  0.1778  0.4865  1
  O  O6  4  0.3230  0.3188  0.5507  1
  O  O7  4  0.4503  0.1810  0.4524  1
  O  O8  2  0.2442  0.0000  0.5718  1
]