data_[Li9V12Te7O48]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4098]
_cell_length_b [10.5890]
_cell_length_c [18.1899]
_cell_angle_alpha [91.0616]
_cell_angle_beta [90.6550]
_cell_angle_gamma [91.0169]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li9V12Te7O48]
_chemical_formula_sum '[Li9 V12 Te7 O48]'
_cell_volume [1041.5826]
_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  0.2150  0.7441  0.2972  1
  Li  Li1  1  0.2536  0.4235  0.9541  1
  Li  Li2  1  0.2543  0.5792  0.4658  1
  Li  Li3  1  0.2721  0.2750  0.7892  1
  Li  Li4  1  0.4227  0.7521  0.7566  1
  Li  Li5  1  0.5771  0.2479  0.2418  1
  Li  Li6  1  0.7259  0.7332  0.2167  1
  Li  Li7  1  0.7535  0.0714  0.5407  1
  Li  Li8  1  0.7844  0.2445  0.7031  1
  V  V9  1  0.2210  0.0311  0.6556  1
  V  V10  1  0.2398  0.4765  0.6561  1
  V  V11  1  0.2403  0.5174  0.1583  1
  V  V12  1  0.2607  0.2485  0.4443  1
  V  V13  1  0.2680  0.7405  0.9388  1
  V  V14  1  0.2687  0.9719  0.1618  1
  V  V15  1  0.7006  0.0397  0.8379  1
  V  V16  1  0.7252  0.4683  0.8422  1
  V  V17  1  0.7315  0.7474  0.5598  1
  V  V18  1  0.7492  0.9707  0.3420  1
  V  V19  1  0.7873  0.5320  0.3487  1
  V  V20  1  0.8374  0.2726  0.0622  1
  Te  Te21  1  0.0736  0.2531  0.2625  1
  Te  Te22  1  0.2356  0.0926  0.9592  1
  Te  Te23  1  0.2706  0.9316  0.4746  1
  Te  Te24  1  0.7272  0.4339  0.5276  1
  Te  Te25  1  0.7420  0.9379  0.0391  1
  Te  Te26  1  0.7502  0.5555  0.0249  1
  Te  Te27  1  0.9253  0.7455  0.7451  1
  O  O28  1  0.0094  0.7458  0.9910  1
  O  O29  1  0.0221  0.8970  0.3602  1
  O  O30  1  0.0507  0.4554  0.0772  1
  O  O31  1  0.0540  0.6096  0.3712  1
  O  O32  1  0.0677  0.6180  0.2066  1
  O  O33  1  0.0774  0.0201  0.0848  1
  O  O34  1  0.0820  0.3758  0.4639  1
  O  O35  1  0.0849  0.2513  0.9839  1
  O  O36  1  0.0899  0.8738  0.2077  1
  O  O37  1  0.0973  0.1070  0.4658  1
  O  O38  1  0.1685  0.6252  0.7047  1
  O  O39  1  0.1694  0.8819  0.6990  1
  O  O40  1  0.1978  0.7432  0.8466  1
  O  O41  1  0.3160  0.3833  0.2128  1
  O  O42  1  0.3188  0.2521  0.3473  1
  O  O43  1  0.3405  0.1090  0.2099  1
  O  O44  1  0.4017  0.1241  0.7101  1
  O  O45  1  0.4031  0.9984  0.5691  1
  O  O46  1  0.4107  0.1265  0.8681  1
  O  O47  1  0.4162  0.5043  0.5707  1
  O  O48  1  0.4176  0.3861  0.7068  1
  O  O49  1  0.4378  0.6038  0.9637  1
  O  O50  1  0.4485  0.8800  0.9635  1
  O  O51  1  0.4523  0.3966  0.8614  1
  O  O52  1  0.4622  0.7506  0.5065  1
  O  O53  1  0.5075  0.5956  0.1341  1
  O  O54  1  0.5320  0.2531  0.4961  1
  O  O55  1  0.5509  0.8945  0.1260  1
  O  O56  1  0.5753  0.9966  0.4294  1
  O  O57  1  0.5753  0.8791  0.2851  1
  O  O58  1  0.5976  0.3851  0.0286  1
  O  O59  1  0.6032  0.4942  0.4319  1
  O  O60  1  0.6049  0.6225  0.2987  1
  O  O61  1  0.6316  0.1130  0.0352  1
  O  O62  1  0.6381  0.8970  0.7981  1
  O  O63  1  0.6819  0.7403  0.6575  1
  O  O64  1  0.6848  0.6137  0.7914  1
  O  O65  1  0.8033  0.1224  0.3028  1
  O  O66  1  0.8223  0.2522  0.1542  1
  O  O67  1  0.8400  0.3828  0.2987  1
  O  O68  1  0.8814  0.1225  0.7844  1
  O  O69  1  0.9004  0.5027  0.9300  1
  O  O70  1  0.9043  0.6104  0.5352  1
  O  O71  1  0.9072  0.3715  0.7944  1
  O  O72  1  0.9076  0.8768  0.5416  1
  O  O73  1  0.9114  0.0146  0.9180  1
  O  O74  1  0.9591  0.1075  0.6320  1
  O  O75  1  0.9704  0.3957  0.6382  1
]