data_[Li2V2O6]
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 [Pmc2_1]
_cell_length_a [3.1661]
_cell_length_b [6.9251]
_cell_length_c [5.7101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LiVO3]
_chemical_formula_sum '[Li2 V2 O6]'
_cell_volume [125.1979]
_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  0.5000  0.2809  0.0569  1.0
  V  V1  2  0.0000  0.2882  0.5636  1.0
  O  O2  2  0.0000  0.1782  0.8287  1.0
  O  O3  2  0.0000  0.4743  0.1320  1.0
  O  O4  2  0.5000  0.2237  0.4189  1.0
]