data_[Li4V2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [4.9895]
_cell_length_b [5.1228]
_cell_length_c [5.1546]
_cell_angle_alpha [99.3562]
_cell_angle_beta [101.4174]
_cell_angle_gamma [118.9532]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2VO3]
_chemical_formula_sum '[Li4 V2 O6]'
_cell_volume [107.7525]
_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
[
  Li  Li0  2  0.1635  0.3426  0.9944  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Li  Li2  1  0.5000  0.0000  0.0000  1.0
  V  V3  2  0.3362  0.1755  0.4974  1.0
  O  O4  2  0.0687  0.9305  0.7264  1.0
  O  O5  2  0.2855  0.7771  0.2686  1.0
  O  O6  2  0.4313  0.5764  0.7259  1.0
]