# generated using pymatgen
data_Li4Ti3Nb2Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96585523
_cell_length_b   9.79634601
_cell_length_c   10.37173835
_cell_angle_alpha   90.00546074
_cell_angle_beta   90.00361510
_cell_angle_gamma   89.99683456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Nb2Ni3O16
_chemical_formula_sum   'Li8 Ti6 Nb4 Ni6 O32'
_cell_volume   606.16153646
_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  0.49999400  0.90309700  0.16563300  1
  Li  Li1  1  0.99999200  0.90312100  0.66553400  1
  Li  Li2  1  0.49998700  0.98539900  0.49837300  1
  Li  Li3  1  0.99998800  0.98533800  0.99845000  1
  Li  Li4  1  0.99998900  0.49558400  0.00124200  1
  Li  Li5  1  0.49999100  0.49555700  0.50121300  1
  Li  Li6  1  0.99999100  0.40840100  0.33239300  1
  Li  Li7  1  0.49999100  0.40842200  0.83233400  1
  Ti  Ti8  1  0.99998500  0.73383300  0.17782200  1
  Ti  Ti9  1  0.49998700  0.73383700  0.67780000  1
  Ti  Ti10  1  0.74850400  0.22020000  0.09477300  1
  Ti  Ti11  1  0.24849300  0.22024800  0.59478400  1
  Ti  Ti12  1  0.25147600  0.22020200  0.09477600  1
  Ti  Ti13  1  0.75146900  0.22026200  0.59478900  1
  Nb  Nb14  1  0.50001000  0.50092300  0.16668500  1
  Nb  Nb15  1  0.99999400  0.50088800  0.66672100  1
  Nb  Nb16  1  0.00001400  0.98785100  0.35217400  1
  Nb  Nb17  1  0.50001300  0.98782900  0.85218300  1
  Ni  Ni18  1  0.00000000  0.20956700  0.83148700  1
  Ni  Ni19  1  0.74674400  0.70879700  0.91316500  1
  Ni  Ni20  1  0.25327200  0.70880600  0.91317300  1
  Ni  Ni21  1  0.50000000  0.20962000  0.33148200  1
  Ni  Ni22  1  0.24674600  0.70875500  0.41318000  1
  Ni  Ni23  1  0.75326200  0.70876500  0.41318200  1
  O  O24  1  0.49998700  0.33314300  0.01794700  1
  O  O25  1  0.99998400  0.33316200  0.51795300  1
  O  O26  1  0.49996400  0.10665700  0.15503900  1
  O  O27  1  0.99998800  0.10667100  0.65505500  1
  O  O28  1  0.99998600  0.30577000  0.00503500  1
  O  O29  1  0.49998500  0.30580600  0.50499400  1
  O  O30  1  0.00001600  0.79772200  0.00540400  1
  O  O31  1  0.50001400  0.79770200  0.50541100  1
  O  O32  1  0.99999200  0.10128200  0.16418800  1
  O  O33  1  0.49999100  0.10152600  0.66421700  1
  O  O34  1  0.49998700  0.58330100  0.33170700  1
  O  O35  1  0.99994600  0.58329300  0.83172600  1
  O  O36  1  0.99998200  0.60820000  0.31936400  1
  O  O37  1  0.49998100  0.60823300  0.81941800  1
  O  O38  1  0.00058800  0.84936100  0.48056300  1
  O  O39  1  0.50055300  0.84947700  0.98064100  1
  O  O40  1  0.74719100  0.58908100  0.08615800  1
  O  O41  1  0.24721100  0.58905900  0.58617300  1
  O  O42  1  0.25276400  0.58906800  0.08616000  1
  O  O43  1  0.75275800  0.58906600  0.58617100  1
  O  O44  1  0.72927700  0.33778500  0.23430800  1
  O  O45  1  0.22926500  0.33778700  0.73430900  1
  O  O46  1  0.27069700  0.33778500  0.23430700  1
  O  O47  1  0.77070700  0.33778900  0.73431000  1
  O  O48  1  0.21935200  0.84906900  0.25062900  1
  O  O49  1  0.71927600  0.84921200  0.75051000  1
  O  O50  1  0.78057900  0.84906200  0.25066000  1
  O  O51  1  0.28070300  0.84921500  0.75054000  1
  O  O52  1  0.24923300  0.09378500  0.41843300  1
  O  O53  1  0.74925300  0.09378300  0.91844000  1
  O  O54  1  0.75075400  0.09376300  0.41843900  1
  O  O55  1  0.25073400  0.09376200  0.91844500  1
