data_[V2B12O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0387]
_cell_length_b [7.5895]
_cell_length_c [6.6178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V(BO)6]
_chemical_formula_sum '[V2 B12 O12]'
_cell_volume [348.0161]
_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  2  0.0000  0.0000  0.0000  1
  B  B1  8  0.1887  0.3342  0.9363  1
  B  B2  4  0.0598  0.5000  0.6244  1
  O  O3  8  0.1118  0.3417  0.7255  1
  O  O4  4  0.2137  0.5000  0.0440  1
]