data_[Al4V8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8551]
_cell_length_b [5.8752]
_cell_length_c [8.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [AlV2O4]
_chemical_formula_sum '[Al4 V8 O16]'
_cell_volume [302.0906]
_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
[
  Al  Al0  4  0.0000  0.0000  0.5000  1
  V  V1  4  0.0000  0.2500  0.1286  1
  V  V2  4  0.2500  0.2500  0.7500  1
  O  O3  8  0.0000  0.0013  0.7189  1
  O  O4  8  0.2220  0.2500  0.5082  1
]