data_[Al6V6C6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1583]
_cell_length_b [3.1583]
_cell_length_c [29.7931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [AlVCO]
_chemical_formula_sum '[Al6 V6 C6 O6]'
_cell_volume [257.3726]
_cell_formula_units_Z [6]
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
[
  Al  Al0  6  0.0000  0.0000  0.2614  1
  V  V1  3  -0.0000  -0.0000  0.5000  1
  V  V2  3  0.0000  0.0000  0.0000  1
  C  C3  6  0.0000  0.0000  0.3782  1
  O  O4  6  0.0000  0.0000  0.2011  1
]