# generated using pymatgen
data_Li4Ti2Fe3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86988929
_cell_length_b   5.86988929
_cell_length_c   9.51135940
_cell_angle_alpha   89.07468474
_cell_angle_beta   89.07468474
_cell_angle_gamma   59.30820131
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti2Fe3Ni3O16
_chemical_formula_sum   'Li4 Ti2 Fe3 Ni3 O16'
_cell_volume   281.76572380
_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  0.66169400  0.66169400  0.10658000  1
  Li  Li1  1  0.99640200  0.99640200  0.00697700  1
  Li  Li2  1  0.99748900  0.99748900  0.50400700  1
  Li  Li3  1  0.33740700  0.33740700  0.60026700  1
  Ti  Ti4  1  0.66897200  0.66897200  0.50448600  1
  Ti  Ti5  1  0.32930800  0.32930800  0.00353600  1
  Fe  Fe6  1  0.34108500  0.83179900  0.78328700  1
  Fe  Fe7  1  0.83179900  0.34108500  0.78328700  1
  Fe  Fe8  1  0.17085400  0.17085400  0.28323800  1
  Ni  Ni9  1  0.82953300  0.82953300  0.78780000  1
  Ni  Ni10  1  0.16716600  0.66056800  0.28679500  1
  Ni  Ni11  1  0.66056800  0.16716600  0.28679500  1
  O  O12  1  0.33942400  0.84786900  0.40674800  1
  O  O13  1  0.52088100  0.52088100  0.65429000  1
  O  O14  1  0.67082500  0.67082500  0.89365900  1
  O  O15  1  0.99361300  0.99361300  0.69447200  1
  O  O16  1  0.99530700  0.99530700  0.19622900  1
  O  O17  1  0.84786900  0.33942400  0.40674800  1
  O  O18  1  0.52668700  0.96269900  0.65567400  1
  O  O19  1  0.96269900  0.52668700  0.65567400  1
  O  O20  1  0.16748200  0.16748200  0.90359900  1
  O  O21  1  0.83812000  0.83812000  0.40208900  1
  O  O22  1  0.03405800  0.47020900  0.15690800  1
  O  O23  1  0.47020900  0.03405800  0.15690800  1
  O  O24  1  0.33866200  0.33866200  0.38941600  1
  O  O25  1  0.16616600  0.66615500  0.90891000  1
  O  O26  1  0.47589700  0.47589700  0.16428700  1
  O  O27  1  0.66615500  0.16616600  0.90891000  1
