data_[Li8V12Te4O32]
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 [8.6388]
_cell_length_b [8.6812]
_cell_length_c [8.8305]
_cell_angle_alpha [89.8968]
_cell_angle_beta [89.6874]
_cell_angle_gamma [89.7287]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2V3TeO8]
_chemical_formula_sum '[Li8 V12 Te4 O32]'
_cell_volume [662.2267]
_cell_formula_units_Z [4]
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  0.1191  0.1172  0.3770  1
  Li  Li1  1  0.2477  0.7514  0.2464  1
  Li  Li2  1  0.2551  0.2526  0.7535  1
  Li  Li3  1  0.3811  0.6178  0.6223  1
  Li  Li4  1  0.6162  0.8757  0.1204  1
  Li  Li5  1  0.7510  0.2538  0.2542  1
  Li  Li6  1  0.7537  0.7523  0.7501  1
  Li  Li7  1  0.8806  0.3816  0.8784  1
  V  V8  1  0.1108  0.3830  0.1228  1
  V  V9  1  0.1182  0.8685  0.6122  1
  V  V10  1  0.1256  0.6124  0.8759  1
  V  V11  1  0.3706  0.1135  0.1201  1
  V  V12  1  0.3780  0.3731  0.3888  1
  V  V13  1  0.3872  0.8778  0.8738  1
  V  V14  1  0.6114  0.6155  0.3770  1
  V  V15  1  0.6183  0.1228  0.8913  1
  V  V16  1  0.6285  0.3862  0.6241  1
  V  V17  1  0.8730  0.8862  0.3772  1
  V  V18  1  0.8787  0.6280  0.1107  1
  V  V19  1  0.8896  0.1173  0.6246  1
  Te  Te20  1  0.0026  0.9964  0.0008  1
  Te  Te21  1  0.4984  0.4981  0.9993  1
  Te  Te22  1  0.5008  0.0026  0.4993  1
  Te  Te23  1  0.9965  0.5016  0.5011  1
  O  O24  1  0.0936  0.8627  0.3904  1
  O  O25  1  0.0985  0.1021  0.6414  1
  O  O26  1  0.1066  0.1363  0.1383  1
  O  O27  1  0.1190  0.6074  0.1163  1
  O  O28  1  0.1325  0.3627  0.3962  1
  O  O29  1  0.1380  0.6081  0.6331  1
  O  O30  1  0.1397  0.3883  0.9115  1
  O  O31  1  0.1706  0.8311  0.8256  1
  O  O32  1  0.3190  0.3336  0.1732  1
  O  O33  1  0.3623  0.8933  0.0915  1
  O  O34  1  0.3626  0.1114  0.3638  1
  O  O35  1  0.3652  0.8629  0.6042  1
  O  O36  1  0.3936  0.6327  0.8585  1
  O  O37  1  0.3940  0.1199  0.8804  1
  O  O38  1  0.3989  0.6001  0.3600  1
  O  O39  1  0.4077  0.3599  0.6063  1
  O  O40  1  0.5984  0.1438  0.0997  1
  O  O41  1  0.6043  0.8636  0.3611  1
  O  O42  1  0.6129  0.9105  0.8613  1
  O  O43  1  0.6220  0.3923  0.3837  1
  O  O44  1  0.6336  0.6384  0.1024  1
  O  O45  1  0.6394  0.3907  0.8656  1
  O  O46  1  0.6399  0.6092  0.5886  1
  O  O47  1  0.6775  0.1650  0.6812  1
  O  O48  1  0.8184  0.6662  0.3268  1
  O  O49  1  0.8564  0.1098  0.4138  1
  O  O50  1  0.8615  0.8888  0.1353  1
  O  O51  1  0.8637  0.1358  0.8982  1
  O  O52  1  0.8808  0.8920  0.6174  1
  O  O53  1  0.8933  0.3614  0.6398  1
  O  O54  1  0.8993  0.3984  0.1418  1
  O  O55  1  0.9041  0.6361  0.8915  1
]