data_[Li2V6O8]
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 [6.0462]
_cell_length_b [6.0585]
_cell_length_c [6.0937]
_cell_angle_alpha [119.2437]
_cell_angle_beta [90.0154]
_cell_angle_gamma [119.8978]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiV3O4]
_chemical_formula_sum '[Li2 V6 O8]'
_cell_volume [159.8403]
_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  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.5000  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  V  V3  1  0.0000  0.0000  0.5000  1.0
  V  V4  1  0.0000  0.5000  0.0000  1.0
  V  V5  1  0.5000  0.0000  0.0000  1.0
  V  V6  1  0.5000  0.0000  0.5000  1.0
  V  V7  1  0.5000  0.5000  0.0000  1.0
  O  O8  2  0.2421  0.9988  0.2420  1.0
  O  O9  2  0.2463  0.0064  0.7604  1.0
  O  O10  2  0.2576  0.4960  0.2381  1.0
  O  O11  2  0.2603  0.4999  0.7594  1.0
]