data_[Li3V2O6]
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 [P1]
_cell_length_a [4.9826]
_cell_length_b [5.0860]
_cell_length_c [5.2073]
_cell_angle_alpha [100.4174]
_cell_angle_beta [103.1975]
_cell_angle_gamma [117.5977]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3V2O6]
_chemical_formula_sum '[Li3 V2 O6]'
_cell_volume [107.3937]
_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  0.0060  0.4998  0.0021  1.0
  Li  Li1  1  0.3307  0.1201  0.0355  1.0
  Li  Li2  1  0.6797  0.8798  0.9734  1.0
  V  V3  1  0.1737  0.3279  0.5280  1.0
  V  V4  1  0.8245  0.6685  0.4704  1.0
  O  O5  1  0.0530  0.9300  0.2723  1.0
  O  O6  1  0.2050  0.6950  0.7374  1.0
  O  O7  1  0.4142  0.5365  0.2712  1.0
  O  O8  1  0.5842  0.4590  0.7257  1.0
  O  O9  1  0.8073  0.2955  0.2541  1.0
  O  O10  1  0.9695  0.0921  0.7271  1.0
]