# generated using pymatgen
data_Li2Ti3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97169270
_cell_length_b   10.34730613
_cell_length_c   10.35984925
_cell_angle_alpha   80.33408460
_cell_angle_beta   90.00078918
_cell_angle_gamma   106.76927504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3NiO8
_chemical_formula_sum   'Li8 Ti12 Ni4 O32'
_cell_volume   603.42498963
_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  0.03020700  0.06040700  0.15097300  1
  Li  Li1  1  0.28020500  0.56040400  0.40098100  1
  Li  Li2  1  0.53020800  0.06040800  0.65097900  1
  Li  Li3  1  0.78021100  0.56041700  0.90097000  1
  Li  Li4  1  0.21979500  0.43959600  0.09901900  1
  Li  Li5  1  0.46979300  0.93959400  0.34902600  1
  Li  Li6  1  0.71978900  0.43958300  0.59903100  1
  Li  Li7  1  0.96979300  0.93959200  0.84902100  1
  Ti  Ti8  1  0.37499700  0.24999300  0.37500600  1
  Ti  Ti9  1  0.62499300  0.75000400  0.62501000  1
  Ti  Ti10  1  0.87500400  0.24999400  0.87499100  1
  Ti  Ti11  1  0.12500600  0.75000500  0.12499400  1
  Ti  Ti12  1  0.87500200  0.24999200  0.37500600  1
  Ti  Ti13  1  0.12501100  0.75000500  0.62501000  1
  Ti  Ti14  1  0.37499000  0.24999700  0.87498800  1
  Ti  Ti15  1  0.62500000  0.75000500  0.12499500  1
  Ti  Ti16  1  0.00000500  0.00000700  0.50000600  1
  Ti  Ti17  1  0.25000000  0.50000100  0.75000000  1
  Ti  Ti18  1  0.49999700  0.99999300  0.99999400  1
  Ti  Ti19  1  0.75000000  0.50000100  0.25000000  1
  Ni  Ni20  1  0.62500700  0.25001300  0.12497800  1
  Ni  Ni21  1  0.87499400  0.74998900  0.37502400  1
  Ni  Ni22  1  0.12500600  0.25001400  0.62498600  1
  Ni  Ni23  1  0.37499300  0.74999100  0.87501500  1
  O  O24  1  0.06516700  0.13035100  0.32590500  1
  O  O25  1  0.31517000  0.63035200  0.57590300  1
  O  O26  1  0.56516500  0.13035200  0.82589600  1
  O  O27  1  0.81516600  0.63035000  0.07589700  1
  O  O28  1  0.18483300  0.36964800  0.92409500  1
  O  O29  1  0.43483300  0.86965000  0.17409600  1
  O  O30  1  0.68483300  0.36964900  0.42410300  1
  O  O31  1  0.93483100  0.86964700  0.67410500  1
  O  O32  1  0.17761700  0.35524800  0.43158300  1
  O  O33  1  0.42762200  0.85525500  0.68156900  1
  O  O34  1  0.67761600  0.35524500  0.93157000  1
  O  O35  1  0.92762100  0.85525100  0.18156300  1
  O  O36  1  0.29175700  0.12697800  0.54572000  1
  O  O37  1  0.54177900  0.62698800  0.79570500  1
  O  O38  1  0.79175400  0.12697900  0.04570900  1
  O  O39  1  0.04177200  0.62698300  0.29569900  1
  O  O40  1  0.83521300  0.12697800  0.54571800  1
  O  O41  1  0.08519900  0.62698700  0.79570500  1
  O  O42  1  0.33521600  0.12697900  0.04570900  1
  O  O43  1  0.58520100  0.62698300  0.29569800  1
  O  O44  1  0.41480100  0.37301300  0.70429500  1
  O  O45  1  0.66478600  0.87301800  0.95428200  1
  O  O46  1  0.91479800  0.37301800  0.20430100  1
  O  O47  1  0.16478300  0.87302100  0.45429300  1
  O  O48  1  0.95822200  0.37301200  0.70429200  1
  O  O49  1  0.20823900  0.87301900  0.95428100  1
  O  O50  1  0.45822700  0.37301700  0.20430100  1
  O  O51  1  0.70824600  0.87302200  0.45429300  1
  O  O52  1  0.07238200  0.14474600  0.81842900  1
  O  O53  1  0.32238100  0.64475200  0.06841900  1
  O  O54  1  0.57238100  0.14474900  0.31843600  1
  O  O55  1  0.82238400  0.64475500  0.56842900  1
