data_[Li4Nb2V6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3007]
_cell_length_b [4.1048]
_cell_length_c [6.7226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2NbV3O8]
_chemical_formula_sum '[Li4 Nb2 V6 O16]'
_cell_volume [323.7268]
_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  0.0549  0.0000  0.3646  1
  Li  Li1  2  0.4394  0.5000  0.6549  1
  Nb  Nb2  2  0.2080  0.5000  0.2811  1
  V  V3  2  0.1088  0.5000  0.6883  1
  V  V4  2  0.2954  0.0000  0.7268  1
  V  V5  2  0.3903  0.0000  0.2966  1
  O  O6  2  0.0642  0.5000  0.3557  1
  O  O7  2  0.1212  0.0000  0.6722  1
  O  O8  2  0.1501  0.5000  0.0024  1
  O  O9  2  0.2224  0.0000  0.3318  1
  O  O10  2  0.2710  0.5000  0.6555  1
  O  O11  2  0.3534  0.0000  0.0059  1
  O  O12  2  0.3814  0.5000  0.3320  1
  O  O13  2  0.4394  0.0000  0.6323  1
]