# generated using pymatgen
data_Li2TiNi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78530265
_cell_length_b   7.78530265
_cell_length_c   5.11219150
_cell_angle_alpha   83.72914771
_cell_angle_beta   83.72914771
_cell_angle_gamma   141.88955840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiNi2O5
_chemical_formula_sum   'Li4 Ti2 Ni4 O10'
_cell_volume   180.21547537
_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  0.20041500  0.79958500  0.50000000  1
  Li  Li1  1  0.30066500  0.69933500  0.00000000  1
  Li  Li2  1  0.79985300  0.20014700  0.50000000  1
  Li  Li3  1  0.49615800  0.50384200  0.00000000  1
  Ti  Ti4  1  0.39249200  0.60750800  0.50000000  1
  Ti  Ti5  1  0.69625000  0.30375000  0.00000000  1
  Ni  Ni6  1  0.10013500  0.89986500  0.00000000  1
  Ni  Ni7  1  0.00085400  0.99914600  0.50000000  1
  Ni  Ni8  1  0.60170000  0.39830000  0.50000000  1
  Ni  Ni9  1  0.89981100  0.10018900  0.00000000  1
  O  O10  1  0.54925700  0.94498100  0.25051300  1
  O  O11  1  0.84914400  0.63592300  0.75879300  1
  O  O12  1  0.93042100  0.53343100  0.23079000  1
  O  O13  1  0.63728100  0.83388800  0.73076200  1
  O  O14  1  0.74486900  0.75130600  0.25955300  1
  O  O15  1  0.36407700  0.15085600  0.24120700  1
  O  O16  1  0.16611200  0.36271900  0.26923800  1
  O  O17  1  0.05501900  0.45074300  0.74948700  1
  O  O18  1  0.46656900  0.06957900  0.76921000  1
  O  O19  1  0.24869400  0.25513100  0.74044700  1
