# generated using pymatgen
data_Li2Ti3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42160100
_cell_length_b   8.42160100
_cell_length_c   8.42160100
_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   597.28826816
_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  0.99876500  0.99876500  0.99876500  1
  Li  Li1  1  0.25123500  0.25123500  0.25123500  1
  Li  Li2  1  0.24876500  0.74876500  0.75123500  1
  Li  Li3  1  0.50123500  0.00123500  0.49876500  1
  Li  Li4  1  0.49876500  0.50123500  0.00123500  1
  Li  Li5  1  0.75123500  0.24876500  0.74876500  1
  Li  Li6  1  0.74876500  0.75123500  0.24876500  1
  Li  Li7  1  0.00123500  0.49876500  0.50123500  1
  Ti  Ti8  1  0.12963200  0.12036800  0.62500000  1
  Ti  Ti9  1  0.12500000  0.37036800  0.87963200  1
  Ti  Ti10  1  0.12036800  0.62500000  0.12963200  1
  Ti  Ti11  1  0.37963200  0.37500000  0.62963200  1
  Ti  Ti12  1  0.37500000  0.62963200  0.37963200  1
  Ti  Ti13  1  0.37036800  0.87963200  0.12500000  1
  Ti  Ti14  1  0.62963200  0.37963200  0.37500000  1
  Ti  Ti15  1  0.62500000  0.12963200  0.12036800  1
  Ti  Ti16  1  0.62036800  0.87500000  0.87036800  1
  Ti  Ti17  1  0.87963200  0.12500000  0.37036800  1
  Ti  Ti18  1  0.87500000  0.87036800  0.62036800  1
  Ti  Ti19  1  0.87036800  0.62036800  0.87500000  1
  Ni  Ni20  1  0.12500000  0.87500000  0.37500000  1
  Ni  Ni21  1  0.37500000  0.12500000  0.87500000  1
  Ni  Ni22  1  0.62500000  0.62500000  0.62500000  1
  Ni  Ni23  1  0.87500000  0.37500000  0.12500000  1
  O  O24  1  0.10727300  0.12327600  0.39065200  1
  O  O25  1  0.10934800  0.89272700  0.62327600  1
  O  O26  1  0.11113700  0.61113700  0.88886300  1
  O  O27  1  0.12672400  0.14272700  0.85934800  1
  O  O28  1  0.12327600  0.39065200  0.10727300  1
  O  O29  1  0.13886300  0.36113700  0.63886300  1
  O  O30  1  0.14065200  0.62672400  0.35727300  1
  O  O31  1  0.14272700  0.85934800  0.12672400  1
  O  O32  1  0.35727300  0.14065200  0.62672400  1
  O  O33  1  0.35934800  0.37327600  0.85727300  1
  O  O34  1  0.36113700  0.63886300  0.13886300  1
  O  O35  1  0.37672400  0.60934800  0.60727300  1
  O  O36  1  0.37327600  0.85727300  0.35934800  1
  O  O37  1  0.38886300  0.38886300  0.38886300  1
  O  O38  1  0.39065200  0.10727300  0.12327600  1
  O  O39  1  0.39272700  0.87672400  0.89065200  1
  O  O40  1  0.60727300  0.37672400  0.60934800  1
  O  O41  1  0.60934800  0.60727300  0.37672400  1
  O  O42  1  0.61113700  0.88886300  0.11113700  1
  O  O43  1  0.62672400  0.35727300  0.14065200  1
  O  O44  1  0.62327600  0.10934800  0.89272700  1
  O  O45  1  0.63886300  0.13886300  0.36113700  1
  O  O46  1  0.64065200  0.87327600  0.64272700  1
  O  O47  1  0.64272700  0.64065200  0.87327600  1
  O  O48  1  0.85727300  0.35934800  0.37327600  1
  O  O49  1  0.85934800  0.12672400  0.14272700  1
  O  O50  1  0.86113700  0.86113700  0.86113700  1
  O  O51  1  0.87672400  0.89065200  0.39272700  1
  O  O52  1  0.87327600  0.64272700  0.64065200  1
  O  O53  1  0.88886300  0.11113700  0.61113700  1
  O  O54  1  0.89065200  0.39272700  0.87672400  1
  O  O55  1  0.89272700  0.62327600  0.10934800  1
