data_[Li6Al3V3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-1]
_cell_length_a [5.1166]
_cell_length_b [5.8711]
_cell_length_c [7.6745]
_cell_angle_alpha [79.3606]
_cell_angle_beta [71.4607]
_cell_angle_gamma [89.7946]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2AlVO4]
_chemical_formula_sum '[Li6 Al3 V3 O12]'
_cell_volume [214.4476]
_cell_formula_units_Z [3]
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
[
  Li  Li0  2  0.0001  0.9030  0.8336  1
  Li  Li1  2  0.0008  0.5804  0.1670  1
  Li  Li2  2  0.0054  0.2618  0.4945  1
  Al  Al3  2  0.4984  0.6606  0.8330  1
  Al  Al4  1  0.5000  0.5000  0.5000  1
  V  V5  2  0.4995  0.8356  0.1655  1
  V  V6  1  0.5000  0.0000  0.5000  1
  O  O7  2  0.2724  0.8645  0.9868  1
  O  O8  2  0.2751  0.0610  0.3195  1
  O  O9  2  0.2758  0.2229  0.6554  1
  O  O10  2  0.2827  0.6977  0.6628  1
  O  O11  2  0.2845  0.5362  0.3311  1
  O  O12  2  0.2849  0.3860  0.9976  1
]