# generated using pymatgen
data_Li4Ti2Ni5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93522600
_cell_length_b   5.00766100
_cell_length_c   9.84684496
_cell_angle_alpha   78.64491376
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti2Ni5O12
_chemical_formula_sum   'Li8 Ti4 Ni10 O24'
_cell_volume   431.96872123
_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  0.92620500  0.00430500  0.73723100  1
  Li  Li1  1  0.93218300  0.50160900  0.26097100  1
  Li  Li2  1  0.58084300  0.75713300  0.50177000  1
  Li  Li3  1  0.42620500  0.99569500  0.26276900  1
  Li  Li4  1  0.57775500  0.49716700  0.25493100  1
  Li  Li5  1  0.43218300  0.49839100  0.73902900  1
  Li  Li6  1  0.08084300  0.24286700  0.49823000  1
  Li  Li7  1  0.07775500  0.50283300  0.74506900  1
  Ti  Ti8  1  0.74055900  0.25479000  0.49622900  1
  Ti  Ti9  1  0.75141800  0.76754800  0.98358100  1
  Ti  Ti10  1  0.25141800  0.23245200  0.01641900  1
  Ti  Ti11  1  0.24055900  0.74521000  0.50377100  1
  Ni  Ni12  1  0.91730900  0.24868300  0.00408600  1
  Ni  Ni13  1  0.91883300  0.75205400  0.49757400  1
  Ni  Ni14  1  0.75352400  0.98988900  0.25527500  1
  Ni  Ni15  1  0.58104100  0.24675800  0.99988300  1
  Ni  Ni16  1  0.74374200  0.50359100  0.74176400  1
  Ni  Ni17  1  0.41883300  0.24794600  0.50242600  1
  Ni  Ni18  1  0.41730900  0.75131700  0.99591400  1
  Ni  Ni19  1  0.25352400  0.01011100  0.74472500  1
  Ni  Ni20  1  0.24374200  0.49640900  0.25823600  1
  Ni  Ni21  1  0.08104100  0.75324200  0.00011700  1
  O  O22  1  0.90345300  0.11006300  0.38617900  1
  O  O23  1  0.90899400  0.84991200  0.10880600  1
  O  O24  1  0.76996000  0.87636800  0.60962000  1
  O  O25  1  0.75361600  0.11944400  0.87792900  1
  O  O26  1  0.90454900  0.62686800  0.87828000  1
  O  O27  1  0.90371400  0.39218200  0.61587300  1
  O  O28  1  0.75561000  0.60662300  0.37294300  1
  O  O29  1  0.59397400  0.12716000  0.37874100  1
  O  O30  1  0.59316600  0.88319400  0.11198000  1
  O  O31  1  0.73618200  0.36532400  0.11025200  1
  O  O32  1  0.58820900  0.60031500  0.88699500  1
  O  O33  1  0.58667100  0.37172700  0.60991000  1
  O  O34  1  0.40899400  0.15008800  0.89119400  1
  O  O35  1  0.40345300  0.88993700  0.61382100  1
  O  O36  1  0.26996000  0.12363200  0.39038000  1
  O  O37  1  0.40371400  0.60781800  0.38412700  1
  O  O38  1  0.25361600  0.88055600  0.12207100  1
  O  O39  1  0.40454900  0.37313200  0.12172000  1
  O  O40  1  0.09316600  0.11680600  0.88802000  1
  O  O41  1  0.25561000  0.39337700  0.62705700  1
  O  O42  1  0.23618200  0.63467600  0.88974800  1
  O  O43  1  0.09397400  0.87284000  0.62125900  1
  O  O44  1  0.08667100  0.62827300  0.39009000  1
  O  O45  1  0.08820900  0.39968500  0.11300500  1
