# generated using pymatgen
data_Li3TiNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74583230
_cell_length_b   5.85356261
_cell_length_c   8.49742653
_cell_angle_alpha   89.25749157
_cell_angle_beta   89.99230442
_cell_angle_gamma   89.98913646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiNi3O8
_chemical_formula_sum   'Li6 Ti2 Ni6 O16'
_cell_volume   285.77494647
_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  0.99998000  0.99995400  0.50002400  1
  Li  Li1  1  0.50000700  0.49998900  0.99999200  1
  Li  Li2  1  0.75001900  0.25008500  0.25000500  1
  Li  Li3  1  0.25000700  0.74995600  0.75001300  1
  Li  Li4  1  0.24999100  0.25005700  0.25000600  1
  Li  Li5  1  0.75000400  0.74993400  0.75000600  1
  Ti  Ti6  1  0.00007500  0.99995500  0.00001000  1
  Ti  Ti7  1  0.50011700  0.50010600  0.50000100  1
  Ni  Ni8  1  0.99986700  0.50006700  0.49994800  1
  Ni  Ni9  1  0.49999200  0.99998300  0.00000600  1
  Ni  Ni10  1  0.74996500  0.75011500  0.25013400  1
  Ni  Ni11  1  0.25001100  0.24985800  0.74989100  1
  Ni  Ni12  1  0.24994700  0.75007900  0.24999800  1
  Ni  Ni13  1  0.74997400  0.24992200  0.75001900  1
  O  O14  1  0.00032800  0.98907900  0.23558300  1
  O  O15  1  0.50070000  0.48885400  0.73555900  1
  O  O16  1  0.99924800  0.01092100  0.76439900  1
  O  O17  1  0.49961600  0.51119000  0.26444700  1
  O  O18  1  0.49954900  0.98454100  0.22127200  1
  O  O19  1  0.99922900  0.48424300  0.72127700  1
  O  O20  1  0.50071700  0.01558500  0.77869400  1
  O  O21  1  0.00037100  0.51573200  0.27873200  1
  O  O22  1  0.24020000  0.72224300  0.50051100  1
  O  O23  1  0.74027700  0.22234400  0.00043300  1
  O  O24  1  0.75990600  0.72228900  0.50026600  1
  O  O25  1  0.25992500  0.22232500  0.00018500  1
  O  O26  1  0.24011400  0.27760800  0.49969600  1
  O  O27  1  0.74018500  0.77770300  0.99981600  1
  O  O28  1  0.75978900  0.27759300  0.49956800  1
  O  O29  1  0.25988900  0.77769300  0.99950700  1
