# generated using pymatgen
data_Li3Ti2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60615864
_cell_length_b   6.60615864
_cell_length_c   6.01621447
_cell_angle_alpha   76.18722697
_cell_angle_beta   76.18722697
_cell_angle_gamma   25.63617326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti2NiO6
_chemical_formula_sum   'Li3 Ti2 Ni1 O6'
_cell_volume   110.13820209
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.66393100  0.66393100  0.66385100  1
  Li  Li2  1  0.33606900  0.33606900  0.33614900  1
  Ti  Ti3  1  0.66092800  0.66092800  0.17431500  1
  Ti  Ti4  1  0.33907200  0.33907200  0.82568500  1
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1
  O  O6  1  0.16701700  0.16701700  0.40267200  1
  O  O7  1  0.82597400  0.82597400  0.07132900  1
  O  O8  1  0.83298300  0.83298300  0.59732800  1
  O  O9  1  0.49182000  0.49182000  0.75120500  1
  O  O10  1  0.50818000  0.50818000  0.24879500  1
  O  O11  1  0.17402600  0.17402600  0.92867100  1
