data_[Li6V4O12]
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 [C2]
_cell_length_a [4.9644]
_cell_length_b [8.6045]
_cell_length_c [5.0180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3V2O6]
_chemical_formula_sum '[Li6 V4 O12]'
_cell_volume [202.4572]
_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  0.0000  0.4967  0.0000  1
  Li  Li1  2  0.0000  0.6550  0.5000  1
  Li  Li2  2  0.0000  0.9975  0.5000  1
  V  V3  2  0.0000  0.1705  0.0000  1
  V  V4  2  0.0000  0.8386  0.0000  1
  O  O5  4  0.2170  0.9982  0.2281  1
  O  O6  4  0.2300  0.8262  0.7758  1
  O  O7  4  0.2498  0.6758  0.2160  1
]