# generated using pymatgen
data_Li2Ti3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44283500
_cell_length_b   8.44283500
_cell_length_c   8.44283500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3NiO8
_chemical_formula_sum   'Li8 Ti12 Ni4 O32'
_cell_volume   601.81762929
_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  0.12641100  0.87358900  0.37358900  1
  Li  Li1  1  0.24732200  0.74732200  0.75267800  1
  Li  Li2  1  0.25267800  0.25267800  0.25267800  1
  Li  Li3  1  0.37358900  0.12641100  0.87358900  1
  Li  Li4  1  0.62641100  0.62641100  0.62641100  1
  Li  Li5  1  0.74732200  0.75267800  0.24732200  1
  Li  Li6  1  0.75267800  0.24732200  0.74732200  1
  Li  Li7  1  0.87358900  0.37358900  0.12641100  1
  Ti  Ti8  1  0.11661300  0.62165300  0.12940200  1
  Ti  Ti9  1  0.12165300  0.37059800  0.88338700  1
  Ti  Ti10  1  0.12940200  0.11661300  0.62165300  1
  Ti  Ti11  1  0.37059800  0.88338700  0.12165300  1
  Ti  Ti12  1  0.37834700  0.62940200  0.38338700  1
  Ti  Ti13  1  0.38338700  0.37834700  0.62940200  1
  Ti  Ti14  1  0.61661300  0.87834700  0.87059800  1
  Ti  Ti15  1  0.62165300  0.12940200  0.11661300  1
  Ti  Ti16  1  0.62940200  0.38338700  0.37834700  1
  Ti  Ti17  1  0.87059800  0.61661300  0.87834700  1
  Ti  Ti18  1  0.87834700  0.87059800  0.61661300  1
  Ti  Ti19  1  0.88338700  0.12165300  0.37059800  1
  Ni  Ni20  1  0.00279600  0.49720400  0.50279600  1
  Ni  Ni21  1  0.49720400  0.50279600  0.00279600  1
  Ni  Ni22  1  0.50279600  0.00279600  0.49720400  1
  Ni  Ni23  1  0.99720400  0.99720400  0.99720400  1
  O  O24  1  0.10814000  0.12548400  0.39122400  1
  O  O25  1  0.10877600  0.89186000  0.62548400  1
  O  O26  1  0.11086900  0.61086900  0.88913100  1
  O  O27  1  0.12548400  0.39122400  0.10814000  1
  O  O28  1  0.12650700  0.14407300  0.85898100  1
  O  O29  1  0.13766700  0.36233300  0.63766700  1
  O  O30  1  0.14101900  0.62650700  0.35592700  1
  O  O31  1  0.14407300  0.85898100  0.12650700  1
  O  O32  1  0.35592700  0.14101900  0.62650700  1
  O  O33  1  0.35898100  0.37349300  0.85592700  1
  O  O34  1  0.36233300  0.63766700  0.13766700  1
  O  O35  1  0.37349300  0.85592700  0.35898100  1
  O  O36  1  0.37451600  0.60877600  0.60814000  1
  O  O37  1  0.38913100  0.38913100  0.38913100  1
  O  O38  1  0.39122400  0.10814000  0.12548400  1
  O  O39  1  0.39186000  0.87451600  0.89122400  1
  O  O40  1  0.60814000  0.37451600  0.60877600  1
  O  O41  1  0.60877600  0.60814000  0.37451600  1
  O  O42  1  0.61086900  0.88913100  0.11086900  1
  O  O43  1  0.62548400  0.10877600  0.89186000  1
  O  O44  1  0.62650700  0.35592700  0.14101900  1
  O  O45  1  0.63766700  0.13766700  0.36233300  1
  O  O46  1  0.64101900  0.87349300  0.64407300  1
  O  O47  1  0.64407300  0.64101900  0.87349300  1
  O  O48  1  0.85592700  0.35898100  0.37349300  1
  O  O49  1  0.85898100  0.12650700  0.14407300  1
  O  O50  1  0.86233300  0.86233300  0.86233300  1
  O  O51  1  0.87349300  0.64407300  0.64101900  1
  O  O52  1  0.87451600  0.89122400  0.39186000  1
  O  O53  1  0.88913100  0.11086900  0.61086900  1
  O  O54  1  0.89122400  0.39186000  0.87451600  1
  O  O55  1  0.89186000  0.62548400  0.10877600  1
