# generated using pymatgen
data_Li2Ti3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94065500
_cell_length_b   10.29009200
_cell_length_c   9.69787900
_cell_angle_alpha   90.00022952
_cell_angle_beta   89.99995708
_cell_angle_gamma   89.99998479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3NiO8
_chemical_formula_sum   'Li8 Ti12 Ni4 O32'
_cell_volume   592.83024246
_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  0.99999000  0.33334100  0.88830500  1
  Li  Li1  1  0.49999000  0.83334400  0.88831100  1
  Li  Li2  1  0.49999500  0.16667400  0.38830500  1
  Li  Li3  1  0.99999500  0.66667200  0.38831100  1
  Li  Li4  1  0.99999800  0.99999500  0.99928100  1
  Li  Li5  1  0.49999700  0.50000500  0.99928300  1
  Li  Li6  1  0.99999800  0.99999900  0.49928300  1
  Li  Li7  1  0.49999800  0.50000800  0.49928100  1
  Ti  Ti8  1  0.75317000  0.41557600  0.21513000  1
  Ti  Ti9  1  0.25313400  0.91565200  0.21511000  1
  Ti  Ti10  1  0.00000300  0.16880600  0.21510600  1
  Ti  Ti11  1  0.50000300  0.66873700  0.21510200  1
  Ti  Ti12  1  0.24682100  0.41558000  0.21512000  1
  Ti  Ti13  1  0.74685700  0.91565600  0.21510100  1
  Ti  Ti14  1  0.25317100  0.08442700  0.71512000  1
  Ti  Ti15  1  0.75313600  0.58435000  0.71510100  1
  Ti  Ti16  1  0.50000400  0.33119900  0.71512200  1
  Ti  Ti17  1  0.00000400  0.83126600  0.71511800  1
  Ti  Ti18  1  0.74682500  0.08442200  0.71511300  1
  Ti  Ti19  1  0.24685900  0.58434500  0.71509400  1
  Ni  Ni20  1  0.49999700  0.83331800  0.48977000  1
  Ni  Ni21  1  0.99999200  0.66669300  0.98976700  1
  Ni  Ni22  1  0.99999700  0.33329800  0.48974900  1
  Ni  Ni23  1  0.49999200  0.16670800  0.98974200  1
  O  O24  1  0.99999000  0.33334300  0.10387000  1
  O  O25  1  0.49999000  0.83332700  0.10385900  1
  O  O26  1  0.49999500  0.16667300  0.60386900  1
  O  O27  1  0.99999500  0.66668900  0.60385800  1
  O  O28  1  0.99999200  0.99997500  0.31518300  1
  O  O29  1  0.49999300  0.50003500  0.31517100  1
  O  O30  1  0.99999600  0.99997600  0.81517100  1
  O  O31  1  0.49999600  0.50003700  0.81518400  1
  O  O32  1  0.73869200  0.42046000  0.60707200  1
  O  O33  1  0.23874400  0.92038700  0.60703900  1
  O  O34  1  0.99999400  0.15910700  0.60708000  1
  O  O35  1  0.49999400  0.65918300  0.60704500  1
  O  O36  1  0.23868500  0.07955600  0.10707200  1
  O  O37  1  0.73873500  0.57962900  0.10704000  1
  O  O38  1  0.26130000  0.42046200  0.60707300  1
  O  O39  1  0.76124600  0.92038800  0.60703900  1
  O  O40  1  0.49999000  0.34090200  0.10708200  1
  O  O41  1  0.99998800  0.84082700  0.10704700  1
  O  O42  1  0.76130200  0.07955500  0.10707200  1
  O  O43  1  0.26125000  0.57962600  0.10703800  1
  O  O44  1  0.77741400  0.25915300  0.33031200  1
  O  O45  1  0.27745400  0.75914600  0.33037000  1
  O  O46  1  0.99999200  0.48173500  0.33031300  1
  O  O47  1  0.49999200  0.98168000  0.33036600  1
  O  O48  1  0.22257100  0.25915200  0.33031100  1
  O  O49  1  0.72253100  0.75914600  0.33036900  1
  O  O50  1  0.27741600  0.24086100  0.83031400  1
  O  O51  1  0.77745500  0.74086900  0.83036800  1
  O  O52  1  0.49999400  0.01828000  0.83031600  1
  O  O53  1  0.99999400  0.51833400  0.83036800  1
  O  O54  1  0.72257000  0.24086100  0.83031400  1
  O  O55  1  0.22253000  0.74086800  0.83036900  1
