data_[Li4V11O22]
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 [P1]
_cell_length_a [5.1237]
_cell_length_b [9.0175]
_cell_length_c [10.1579]
_cell_angle_alpha [114.2158]
_cell_angle_beta [94.5029]
_cell_angle_gamma [95.2854]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4V11O22]
_chemical_formula_sum '[Li4 V11 O22]'
_cell_volume [422.6952]
_cell_formula_units_Z [1]
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  0.1290  0.3753  0.1854  1
  Li  Li1  1  0.7176  0.9123  0.4607  1
  Li  Li2  1  0.9023  0.6197  0.8097  1
  Li  Li3  1  0.9991  0.9985  0.9987  1
  V  V4  1  0.0956  0.8613  0.6800  1
  V  V5  1  0.1776  0.2326  0.8430  1
  V  V6  1  0.2779  0.5939  0.0424  1
  V  V7  1  0.3721  0.9630  0.2243  1
  V  V8  1  0.4525  0.3165  0.4165  1
  V  V9  1  0.5435  0.6781  0.5903  1
  V  V10  1  0.6339  0.0408  0.7791  1
  V  V11  1  0.7203  0.4053  0.9620  1
  V  V12  1  0.8234  0.7626  0.1419  1
  V  V13  1  0.9100  0.1360  0.3221  1
  V  V14  1  0.9959  0.5044  0.4938  1
  O  O15  1  0.0410  0.4347  0.8621  1
  O  O16  1  0.0530  0.9303  0.3134  1
  O  O17  1  0.1202  0.7964  0.0420  1
  O  O18  1  0.1489  0.3005  0.4984  1
  O  O19  1  0.2146  0.6650  0.6824  1
  O  O20  1  0.2374  0.1599  0.2211  1
  O  O21  1  0.2831  0.0244  0.8579  1
  O  O22  1  0.3288  0.5173  0.4066  1
  O  O23  1  0.3935  0.3884  0.0422  1
  O  O24  1  0.4236  0.8717  0.5874  1
  O  O25  1  0.4933  0.2459  0.7763  1
  O  O26  1  0.5178  0.7626  0.2305  1
  O  O27  1  0.5722  0.1085  0.4101  1
  O  O28  1  0.6227  0.5999  0.9511  1
  O  O29  1  0.6754  0.4933  0.6004  1
  O  O30  1  0.6788  0.9699  0.1328  1
  O  O31  1  0.7653  0.3352  0.3209  1
  O  O32  1  0.7801  0.8407  0.7813  1
  O  O33  1  0.8644  0.7214  0.5057  1
  O  O34  1  0.8819  0.2192  0.9623  1
  O  O35  1  0.9438  0.0625  0.6769  1
  O  O36  1  0.9527  0.5640  0.1401  1
]