# generated using pymatgen
data_Li4Ti5Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90396707
_cell_length_b   5.90396707
_cell_length_c   9.55794993
_cell_angle_alpha   88.82571851
_cell_angle_beta   88.82571851
_cell_angle_gamma   59.11303907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti5Ni3O16
_chemical_formula_sum   'Li4 Ti5 Ni3 O16'
_cell_volume   285.83230973
_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  0.66097200  0.66097200  0.10377300  1
  Li  Li1  1  0.99059200  0.99059200  0.00812000  1
  Li  Li2  1  0.00084600  0.00084600  0.50565100  1
  Li  Li3  1  0.33896200  0.33896200  0.59839900  1
  Ti  Ti4  1  0.34936400  0.84382700  0.77909700  1
  Ti  Ti5  1  0.66654800  0.66654800  0.49897600  1
  Ti  Ti6  1  0.84382700  0.34936400  0.77909700  1
  Ti  Ti7  1  0.17309400  0.17309400  0.27011900  1
  Ti  Ti8  1  0.33980400  0.33980400  0.00342400  1
  Ni  Ni9  1  0.83145100  0.83145100  0.79118400  1
  Ni  Ni10  1  0.16785500  0.66120900  0.28953000  1
  Ni  Ni11  1  0.66120900  0.16785500  0.28953000  1
  O  O12  1  0.34188100  0.83878100  0.40764200  1
  O  O13  1  0.52139000  0.52139000  0.66290600  1
  O  O14  1  0.65544500  0.65544500  0.89753100  1
  O  O15  1  0.00574400  0.00574400  0.69546900  1
  O  O16  1  0.99475000  0.99475000  0.19834900  1
  O  O17  1  0.83878100  0.34188100  0.40764200  1
  O  O18  1  0.50611000  0.96842700  0.65656000  1
  O  O19  1  0.96842700  0.50611000  0.65656000  1
  O  O20  1  0.16741900  0.16741900  0.90213300  1
  O  O21  1  0.83828200  0.83828200  0.40596300  1
  O  O22  1  0.02752800  0.47412500  0.15769500  1
  O  O23  1  0.47412500  0.02752800  0.15769500  1
  O  O24  1  0.33581300  0.33581300  0.38746700  1
  O  O25  1  0.17812800  0.66035600  0.90991700  1
  O  O26  1  0.47392500  0.47392500  0.16402800  1
  O  O27  1  0.66035600  0.17812800  0.90991700  1
