# generated using pymatgen
data_Li4Ti3V3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89982661
_cell_length_b   5.89982661
_cell_length_c   9.69622433
_cell_angle_alpha   89.52747633
_cell_angle_beta   89.52747633
_cell_angle_gamma   60.37576513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3V3(NiO8)2
_chemical_formula_sum   'Li4 Ti3 V3 Ni2 O16'
_cell_volume   293.37562715
_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  0.33748400  0.33748400  0.10895800  1
  Li  Li1  1  0.00256900  0.00256900  0.00143900  1
  Li  Li2  1  0.00678400  0.00678400  0.50109600  1
  Li  Li3  1  0.66923400  0.66923400  0.60780600  1
  Ti  Ti4  1  0.65876900  0.16808400  0.78392800  1
  Ti  Ti5  1  0.16808400  0.65876900  0.78392800  1
  Ti  Ti6  1  0.82945900  0.82945900  0.27741200  1
  V  V7  1  0.16850900  0.16850900  0.78979000  1
  V  V8  1  0.33363100  0.83319300  0.28872900  1
  V  V9  1  0.83319300  0.33363100  0.28872900  1
  Ni  Ni10  1  0.33466800  0.33466800  0.51056400  1
  Ni  Ni11  1  0.66685900  0.66685900  0.01075500  1
  O  O12  1  0.68370500  0.17236700  0.39328100  1
  O  O13  1  0.48487300  0.48487300  0.66919400  1
  O  O14  1  0.33714100  0.33714100  0.89718300  1
  O  O15  1  0.00195200  0.00195200  0.68533500  1
  O  O16  1  0.00300000  0.00300000  0.18548900  1
  O  O17  1  0.17236700  0.68370500  0.39328100  1
  O  O18  1  0.48638200  0.03986200  0.66793300  1
  O  O19  1  0.03986200  0.48638200  0.66793300  1
  O  O20  1  0.84246800  0.84246800  0.89485300  1
  O  O21  1  0.16512400  0.16512400  0.39118000  1
  O  O22  1  0.96598400  0.52119400  0.17145400  1
  O  O23  1  0.52119400  0.96598400  0.17145400  1
  O  O24  1  0.67197300  0.67197300  0.39601500  1
  O  O25  1  0.83917400  0.32559300  0.89237500  1
  O  O26  1  0.52134500  0.52134500  0.16896900  1
  O  O27  1  0.32559300  0.83917400  0.89237500  1
