# generated using pymatgen
data_Li4Ti3Mn2Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86273841
_cell_length_b   5.86273841
_cell_length_c   9.43493170
_cell_angle_alpha   88.59472464
_cell_angle_beta   88.59472464
_cell_angle_gamma   59.73491312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Mn2Ni3O16
_chemical_formula_sum   'Li4 Ti3 Mn2 Ni3 O16'
_cell_volume   279.98218179
_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  0.66679000  0.66679000  0.10572000  1
  Li  Li1  1  0.98679100  0.98679100  0.00970200  1
  Li  Li2  1  0.99622700  0.99622700  0.50511100  1
  Li  Li3  1  0.33643800  0.33643800  0.59997600  1
  Ti  Ti4  1  0.33939900  0.83579400  0.78778100  1
  Ti  Ti5  1  0.83579400  0.33939900  0.78778100  1
  Ti  Ti6  1  0.16906800  0.16906800  0.28468500  1
  Mn  Mn7  1  0.67020200  0.67020200  0.51392500  1
  Mn  Mn8  1  0.33848700  0.33848700  0.01889400  1
  Ni  Ni9  1  0.82849000  0.82849000  0.78864200  1
  Ni  Ni10  1  0.16765900  0.65881800  0.28958000  1
  Ni  Ni11  1  0.65881800  0.16765900  0.28958000  1
  O  O12  1  0.34344000  0.84341600  0.40143100  1
  O  O13  1  0.52242600  0.52242600  0.65810600  1
  O  O14  1  0.65728400  0.65728400  0.89914100  1
  O  O15  1  0.00385000  0.00385000  0.69409800  1
  O  O16  1  0.99463300  0.99463300  0.19918700  1
  O  O17  1  0.84341600  0.34344000  0.40143100  1
  O  O18  1  0.51212500  0.95854400  0.65003800  1
  O  O19  1  0.95854400  0.51212500  0.65003800  1
  O  O20  1  0.17045100  0.17045100  0.89635200  1
  O  O21  1  0.83460400  0.83460400  0.40589200  1
  O  O22  1  0.04056000  0.46898700  0.15055900  1
  O  O23  1  0.46898700  0.04056000  0.15055900  1
  O  O24  1  0.33473300  0.33473300  0.39158600  1
  O  O25  1  0.18112600  0.66241700  0.90342900  1
  O  O26  1  0.47704000  0.47704000  0.15548400  1
  O  O27  1  0.66241700  0.18112600  0.90342900  1
