# generated using pymatgen
data_Li2Ti2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10499041
_cell_length_b   20.75183600
_cell_length_c   5.16663884
_cell_angle_alpha   89.99999706
_cell_angle_beta   119.60624156
_cell_angle_gamma   90.00002253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti2NiO6
_chemical_formula_sum   'Li8 Ti8 Ni4 O24'
_cell_volume   475.88250147
_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  0.16510900  0.37495400  0.50005100  1
  Li  Li1  1  0.16505800  0.87504600  0.49994900  1
  Li  Li2  1  0.33488100  0.12500000  0.50000000  1
  Li  Li3  1  0.33490700  0.62500000  0.50000000  1
  Li  Li4  1  0.66505800  0.37495400  0.49994900  1
  Li  Li5  1  0.66510900  0.87504600  0.50005100  1
  Li  Li6  1  0.83488100  0.12500000  0.50000000  1
  Li  Li7  1  0.83490800  0.62500000  0.50000000  1
  Ti  Ti8  1  0.16084600  0.25006600  0.32161500  1
  Ti  Ti9  1  0.16078300  0.74992300  0.32158900  1
  Ti  Ti10  1  0.33923100  0.99993500  0.67838400  1
  Ti  Ti11  1  0.33919600  0.50007700  0.67841200  1
  Ti  Ti12  1  0.66084600  0.99993500  0.32161500  1
  Ti  Ti13  1  0.66078400  0.50007700  0.32158800  1
  Ti  Ti14  1  0.83923100  0.25006600  0.67838500  1
  Ti  Ti15  1  0.83919500  0.74992300  0.67841100  1
  Ni  Ni16  1  0.00049000  0.49969700  0.00000100  1
  Ni  Ni17  1  0.50048800  0.75030300  0.00000300  1
  Ni  Ni18  1  0.99955300  0.00026300  0.99999900  1
  Ni  Ni19  1  0.49955000  0.24973600  0.99999700  1
  O  O20  1  0.15400700  0.29928300  0.00000000  1
  O  O21  1  0.15413000  0.79931100  0.00000000  1
  O  O22  1  0.34598800  0.04932900  0.00000000  1
  O  O23  1  0.34585500  0.54927700  0.00000000  1
  O  O24  1  0.65413000  0.45068900  0.00000000  1
  O  O25  1  0.65400700  0.95071700  0.00000000  1
  O  O26  1  0.84598700  0.20067100  0.00000000  1
  O  O27  1  0.84585500  0.70072300  0.00000000  1
  O  O28  1  0.00411900  0.05363700  0.36419000  1
  O  O29  1  0.00413300  0.55359100  0.36407100  1
  O  O30  1  0.99588000  0.44638000  0.63593300  1
  O  O31  1  0.99585400  0.94640600  0.63580900  1
  O  O32  1  0.13993000  0.19636300  0.63581100  1
  O  O33  1  0.14006200  0.69640900  0.63592900  1
  O  O34  1  0.49585400  0.30359400  0.63580900  1
  O  O35  1  0.49588100  0.80362000  0.63593400  1
  O  O36  1  0.35994600  0.44638000  0.36406600  1
  O  O37  1  0.36004400  0.94640600  0.36419000  1
  O  O38  1  0.50411800  0.19636300  0.36418900  1
  O  O39  1  0.50413300  0.69640900  0.36407200  1
  O  O40  1  0.86004500  0.30359300  0.36419000  1
  O  O41  1  0.85994700  0.80362000  0.36406700  1
  O  O42  1  0.63992900  0.05363700  0.63581100  1
  O  O43  1  0.64006300  0.55359100  0.63592900  1
