data_[Li1Al1V2O6]
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 [P1]
_cell_length_a [4.9467]
_cell_length_b [4.9689]
_cell_length_c [5.3270]
_cell_angle_alpha [62.9072]
_cell_angle_beta [63.1085]
_cell_angle_gamma [60.6058]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiAlV2O6]
_chemical_formula_sum '[Li1 Al1 V2 O6]'
_cell_volume [97.0436]
_cell_formula_units_Z [1]
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  1  0.8094  0.7903  0.5962  1.0
  Al  Al1  1  0.3072  0.3212  0.0490  1.0
  V  V2  1  0.0177  0.0072  0.9527  1.0
  V  V3  1  0.5184  0.5141  0.4424  1.0
  O  O4  1  0.1375  0.3849  0.7582  1.0
  O  O5  1  0.2423  0.9262  0.2319  1.0
  O  O6  1  0.3906  0.7171  0.7529  1.0
  O  O7  1  0.5864  0.2653  0.2365  1.0
  O  O8  1  0.7302  0.1333  0.7607  1.0
  O  O9  1  0.9218  0.6020  0.2346  1.0
]