data_[Li8V4O16]
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 [5.8235]
_cell_length_b [6.5874]
_cell_length_c [8.6311]
_cell_angle_alpha [83.9683]
_cell_angle_beta [84.7072]
_cell_angle_gamma [84.5726]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2VO4]
_chemical_formula_sum '[Li8 V4 O16]'
_cell_volume [326.6628]
_cell_formula_units_Z [4]
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  0.1330  0.3029  0.4228  1
  Li  Li1  2  0.2112  0.6940  0.0954  1
  Li  Li2  2  0.3396  0.1606  0.0654  1
  Li  Li3  2  0.4082  0.8146  0.4652  1
  V  V4  2  0.1844  0.9516  0.7605  1
  V  V5  2  0.3208  0.4446  0.7654  1
  O  O6  2  0.0756  0.1461  0.2311  1
  O  O7  2  0.0987  0.2383  0.7876  1
  O  O8  2  0.1735  0.5265  0.5818  1
  O  O9  2  0.2678  0.4595  0.9644  1
  O  O10  2  0.2722  0.0745  0.5664  1
  O  O11  2  0.3083  0.9203  0.9400  1
  O  O12  2  0.3948  0.7179  0.6974  1
  O  O13  2  0.4214  0.6925  0.2658  1
]