data_[Li2V6O16]
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 [Cm]
_cell_length_a [12.5204]
_cell_length_b [3.5223]
_cell_length_c [6.9443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiV3O8]
_chemical_formula_sum '[Li2 V6 O16]'
_cell_volume [292.4924]
_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  0.4121  0.5000  0.6946  1.0
  V  V1  2  0.1152  0.5000  0.7675  1.0
  V  V2  2  0.1959  0.5000  0.3426  1.0
  V  V3  2  0.3977  0.0000  0.2676  1.0
  O  O4  2  0.0552  0.5000  0.3239  1.0
  O  O5  2  0.1353  0.0000  0.7132  1.0
  O  O6  2  0.1505  0.5000  0.0193  1.0
  O  O7  2  0.2403  0.0000  0.3012  1.0
  O  O8  2  0.2481  0.5000  0.5946  1.0
  O  O9  2  0.3650  0.0000  0.0260  1.0
  O  O10  2  0.3858  0.5000  0.3428  1.0
  O  O11  2  0.4720  0.0000  0.6805  1.0
]