data_[Li10V12O10F38]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4462]
_cell_length_b [7.6754]
_cell_length_c [16.3706]
_cell_angle_alpha [83.1335]
_cell_angle_beta [82.9544]
_cell_angle_gamma [87.7030]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5V6O5F19]
_chemical_formula_sum '[Li10 V12 O10 F38]'
_cell_volume [921.5956]
_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  1  0.1714  0.8696  0.5139  1
  Li  Li1  1  0.1795  0.4670  0.1535  1
  Li  Li2  1  0.1807  0.2468  0.8646  1
  Li  Li3  1  0.2282  0.9066  0.1724  1
  Li  Li4  1  0.3580  0.2979  0.4570  1
  Li  Li5  1  0.6416  0.7374  0.5276  1
  Li  Li6  1  0.6770  0.9612  0.1542  1
  Li  Li7  1  0.6796  0.7452  0.8674  1
  Li  Li8  1  0.7233  0.4172  0.1745  1
  Li  Li9  1  0.8803  0.3798  0.4497  1
  V  V10  1  0.1733  0.1361  0.3290  1
  V  V11  1  0.1899  0.6652  0.3379  1
  V  V12  1  0.3355  0.8339  0.6742  1
  V  V13  1  0.3655  0.3373  0.6649  1
  V  V14  1  0.4696  0.5007  0.0023  1
  V  V15  1  0.4731  0.0094  0.9950  1
  V  V16  1  0.6728  0.6432  0.3283  1
  V  V17  1  0.6916  0.1630  0.3354  1
  V  V18  1  0.8372  0.3314  0.6726  1
  V  V19  1  0.8640  0.8363  0.6674  1
  V  V20  1  0.9706  0.9996  0.0020  1
  V  V21  1  0.9710  0.5089  0.9950  1
  O  O22  1  0.0917  0.8739  0.6438  1
  O  O23  1  0.2100  0.9254  0.3073  1
  O  O24  1  0.2447  0.4685  0.0263  1
  O  O25  1  0.2569  0.0578  0.9783  1
  O  O26  1  0.4108  0.6259  0.3529  1
  O  O27  1  0.5921  0.3755  0.6468  1
  O  O28  1  0.7083  0.4264  0.3090  1
  O  O29  1  0.7422  0.9681  0.0266  1
  O  O30  1  0.7548  0.5585  0.9781  1
  O  O31  1  0.9123  0.1346  0.3528  1
  F  F32  1  0.0258  0.9373  0.1120  1
  F  F33  1  0.0415  0.7644  0.9756  1
  F  F34  1  0.0823  0.4652  0.8898  1
  F  F35  1  0.0896  0.2880  0.6899  1
  F  F36  1  0.1003  0.7036  0.4484  1
  F  F37  1  0.1194  0.4097  0.3709  1
  F  F38  1  0.1548  0.2504  0.2229  1
  F  F39  1  0.1982  0.0987  0.4479  1
  F  F40  1  0.2259  0.6522  0.2193  1
  F  F41  1  0.2752  0.8628  0.7804  1
  F  F42  1  0.2940  0.5827  0.6915  1
  F  F43  1  0.3096  0.3997  0.5546  1
  F  F44  1  0.3579  0.2575  0.7773  1
  F  F45  1  0.3834  0.0831  0.6421  1
  F  F46  1  0.4001  0.8058  0.5574  1
  F  F47  1  0.4215  0.2178  0.3199  1
  F  F48  1  0.4372  0.0148  0.1173  1
  F  F49  1  0.4495  0.7508  0.0260  1
  F  F50  1  0.4874  0.5841  0.8894  1
  F  F51  1  0.5271  0.4354  0.1131  1
  F  F52  1  0.5411  0.2642  0.9745  1
  F  F53  1  0.5824  0.9650  0.8894  1
  F  F54  1  0.5914  0.7852  0.6874  1
  F  F55  1  0.6012  0.2035  0.4462  1
  F  F56  1  0.6322  0.9059  0.3567  1
  F  F57  1  0.6531  0.7367  0.2187  1
  F  F58  1  0.7048  0.5846  0.4464  1
  F  F59  1  0.7190  0.1526  0.2183  1
  F  F60  1  0.7789  0.3596  0.7772  1
  F  F61  1  0.7923  0.0789  0.6917  1
  F  F62  1  0.8074  0.8887  0.5561  1
  F  F63  1  0.8581  0.7570  0.7789  1
  F  F64  1  0.8813  0.5851  0.6424  1
  F  F65  1  0.9044  0.3086  0.5615  1
  F  F66  1  0.9297  0.7017  0.3135  1
  F  F67  1  0.9381  0.5146  0.1170  1
  F  F68  1  0.9498  0.2509  0.0254  1
  F  F69  1  0.9850  0.0820  0.8913  1
]