# generated using pymatgen
data_Li2Ti3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99089724
_cell_length_b   8.45892145
_cell_length_c   11.92996645
_cell_angle_alpha   90.00331389
_cell_angle_beta   90.00138704
_cell_angle_gamma   89.69424010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3NiO8
_chemical_formula_sum   'Li8 Ti12 Ni4 O32'
_cell_volume   604.56068261
_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  0.23741600  0.11886500  0.49991600  1
  Li  Li1  1  0.73738200  0.61878900  0.75006800  1
  Li  Li2  1  0.23736700  0.11890500  0.00002700  1
  Li  Li3  1  0.73735100  0.61882900  0.24995200  1
  Li  Li4  1  0.00173500  0.50080500  0.49990600  1
  Li  Li5  1  0.50165100  0.00095700  0.75007000  1
  Li  Li6  1  0.00164100  0.50090000  0.00002000  1
  Li  Li7  1  0.50160400  0.00104500  0.24997500  1
  Ti  Ti8  1  0.50580100  0.49848500  0.50001600  1
  Ti  Ti9  1  0.00543300  0.99859400  0.74995700  1
  Ti  Ti10  1  0.50544000  0.49842000  0.99988000  1
  Ti  Ti11  1  0.00511400  0.99855000  0.25007100  1
  Ti  Ti12  1  0.75149500  0.25285800  0.62273400  1
  Ti  Ti13  1  0.25084900  0.75283700  0.87289700  1
  Ti  Ti14  1  0.75151800  0.25298000  0.12270200  1
  Ti  Ti15  1  0.25105900  0.75293900  0.37297300  1
  Ti  Ti16  1  0.75122600  0.25283100  0.37718100  1
  Ti  Ti17  1  0.25119900  0.75289300  0.62716100  1
  Ti  Ti18  1  0.75134500  0.25287200  0.87708400  1
  Ti  Ti19  1  0.25111600  0.75303000  0.12717400  1
  Ni  Ni20  1  0.76444500  0.88226200  0.50012600  1
  Ni  Ni21  1  0.26460800  0.38197900  0.74981200  1
  Ni  Ni22  1  0.76436800  0.88259900  0.99991000  1
  Ni  Ni23  1  0.26470900  0.38223400  0.25003200  1
  O  O24  1  0.51970400  0.25903600  0.50012800  1
  O  O25  1  0.01922300  0.76008200  0.74986300  1
  O  O26  1  0.51967400  0.25904100  0.99996800  1
  O  O27  1  0.01927800  0.76002300  0.24998200  1
  O  O28  1  0.48041700  0.74110100  0.49985300  1
  O  O29  1  0.98088700  0.23996700  0.75013100  1
  O  O30  1  0.48018800  0.74102600  0.99985300  1
  O  O31  1  0.98085200  0.23982700  0.25015300  1
  O  O32  1  0.73090100  0.47934800  0.61440300  1
  O  O33  1  0.23012100  0.97930300  0.86450100  1
  O  O34  1  0.73080400  0.47933600  0.11430300  1
  O  O35  1  0.23009300  0.97934300  0.36452800  1
  O  O36  1  0.73085400  0.47939600  0.38570200  1
  O  O37  1  0.23015800  0.97936700  0.63544900  1
  O  O38  1  0.73078300  0.47937300  0.88569400  1
  O  O39  1  0.23012100  0.97931900  0.13549100  1
  O  O40  1  0.95998200  0.25183900  0.50008900  1
  O  O41  1  0.45900100  0.75119800  0.75001900  1
  O  O42  1  0.96005400  0.25187000  0.00005400  1
  O  O43  1  0.45900100  0.75120100  0.24995200  1
  O  O44  1  0.03406400  0.74791400  0.49995400  1
  O  O45  1  0.53465100  0.24890500  0.75023300  1
  O  O46  1  0.03331100  0.74843500  0.99991500  1
  O  O47  1  0.53460300  0.24889500  0.25020800  1
  O  O48  1  0.26796400  0.51723400  0.61596600  1
  O  O49  1  0.76617200  0.01773900  0.86576400  1
  O  O50  1  0.26793000  0.51718300  0.11596800  1
  O  O51  1  0.76583800  0.01763400  0.36580600  1
  O  O52  1  0.26776600  0.51714500  0.38403600  1
  O  O53  1  0.76625000  0.01784000  0.63415100  1
  O  O54  1  0.26728700  0.51690500  0.88403200  1
  O  O55  1  0.76617700  0.01771800  0.13420300  1
