# generated using pymatgen
data_Li4Ti3Ni3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98370467
_cell_length_b   10.05379266
_cell_length_c   10.32771434
_cell_angle_alpha   89.58276018
_cell_angle_beta   89.99904751
_cell_angle_gamma   89.99974558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Ni3(TeO8)2
_chemical_formula_sum   'Li8 Ti6 Ni6 Te4 O32'
_cell_volume   621.28772957
_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  0.50001400  0.90925000  0.16251700  1
  Li  Li1  1  0.00001400  0.90924800  0.66252200  1
  Li  Li2  1  0.50001100  0.98353000  0.49727600  1
  Li  Li3  1  0.00001000  0.98353500  0.99727200  1
  Li  Li4  1  0.00003000  0.49091200  0.00351200  1
  Li  Li5  1  0.50002900  0.49091800  0.50350600  1
  Li  Li6  1  0.00001200  0.40371300  0.33144500  1
  Li  Li7  1  0.50001200  0.40371200  0.83144400  1
  Ti  Ti8  1  0.00001400  0.72411400  0.17284700  1
  Ti  Ti9  1  0.50001400  0.72410400  0.67284900  1
  Ti  Ti10  1  0.73916900  0.21851300  0.09277300  1
  Ti  Ti11  1  0.23917300  0.21851300  0.59277700  1
  Ti  Ti12  1  0.26086400  0.21850800  0.09277800  1
  Ti  Ti13  1  0.76086000  0.21850700  0.59278200  1
  Ni  Ni14  1  0.00001800  0.20176700  0.82849200  1
  Ni  Ni15  1  0.24269200  0.72052200  0.41450300  1
  Ni  Ni16  1  0.75729000  0.72052900  0.41451000  1
  Ni  Ni17  1  0.50001700  0.20176500  0.32849300  1
  Ni  Ni18  1  0.74267900  0.72050300  0.91450500  1
  Ni  Ni19  1  0.25730100  0.72051500  0.91451200  1
  Te  Te20  1  0.50001400  0.51058800  0.17443400  1
  Te  Te21  1  0.00001400  0.51057800  0.67442700  1
  Te  Te22  1  0.00000800  0.98530200  0.33718000  1
  Te  Te23  1  0.50000800  0.98529400  0.83717800  1
  O  O24  1  0.50001900  0.31651700  0.01057100  1
  O  O25  1  0.00001900  0.31651700  0.51057300  1
  O  O26  1  0.50002000  0.10371000  0.15543400  1
  O  O27  1  0.00002000  0.10371200  0.65543500  1
  O  O28  1  0.00002000  0.29355700  0.00207700  1
  O  O29  1  0.50002000  0.29355400  0.50207400  1
  O  O30  1  0.99999400  0.80315900  0.00654900  1
  O  O31  1  0.49999900  0.80316100  0.50655300  1
  O  O32  1  0.00001700  0.08806600  0.16884200  1
  O  O33  1  0.50001800  0.08806200  0.66884200  1
  O  O34  1  0.50000300  0.59706500  0.34069300  1
  O  O35  1  0.00000300  0.59704900  0.84069700  1
  O  O36  1  0.00000000  0.61088400  0.32146700  1
  O  O37  1  0.49999700  0.61087100  0.82147200  1
  O  O38  1  0.99999800  0.85539300  0.47888400  1
  O  O39  1  0.49999700  0.85538200  0.97888700  1
  O  O40  1  0.75108900  0.61236000  0.09271500  1
  O  O41  1  0.25109400  0.61235500  0.59271000  1
  O  O42  1  0.24894400  0.61237500  0.09272000  1
  O  O43  1  0.74894000  0.61236900  0.59271600  1
  O  O44  1  0.74620400  0.32252900  0.23483500  1
  O  O45  1  0.24620400  0.32252700  0.73483700  1
  O  O46  1  0.25381500  0.32252000  0.23483700  1
  O  O47  1  0.75381500  0.32251800  0.73483800  1
  O  O48  1  0.21494500  0.85704800  0.25427200  1
  O  O49  1  0.71494400  0.85703900  0.75427400  1
  O  O50  1  0.78507500  0.85705400  0.25427400  1
  O  O51  1  0.28507400  0.85704600  0.75427600  1
  O  O52  1  0.24602400  0.08420500  0.41477800  1
  O  O53  1  0.74602100  0.08420400  0.91477500  1
  O  O54  1  0.75399600  0.08421200  0.41478200  1
  O  O55  1  0.25400000  0.08421100  0.91477900  1
