# generated using pymatgen
data_Li4Nb3Fe3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10025887
_cell_length_b   6.10025887
_cell_length_c   9.81582900
_cell_angle_alpha   89.69296099
_cell_angle_beta   89.69296099
_cell_angle_gamma   60.04357195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Nb3Fe3(NiO8)2
_chemical_formula_sum   'Li4 Nb3 Fe3 Ni2 O16'
_cell_volume   316.47276552
_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  0.33125800  0.33125800  0.09964400  1
  Li  Li1  1  0.99350000  0.99350000  0.99359000  1
  Li  Li2  1  0.98772300  0.98772300  0.50882100  1
  Li  Li3  1  0.66359500  0.66359500  0.62491900  1
  Nb  Nb4  1  0.17066100  0.17066100  0.78545500  1
  Nb  Nb5  1  0.83289600  0.33855500  0.28603200  1
  Nb  Nb6  1  0.33855500  0.83289600  0.28603200  1
  Fe  Fe7  1  0.66157400  0.17013500  0.78427600  1
  Fe  Fe8  1  0.17013500  0.66157400  0.78427600  1
  Fe  Fe9  1  0.83270800  0.83270800  0.28297000  1
  Ni  Ni10  1  0.34025000  0.34025000  0.52455300  1
  Ni  Ni11  1  0.67380600  0.67380600  0.98812100  1
  O  O12  1  0.68649600  0.16004300  0.39262700  1
  O  O13  1  0.48135500  0.48135500  0.66601400  1
  O  O14  1  0.32988100  0.32988100  0.89979100  1
  O  O15  1  0.00289500  0.00289500  0.68751500  1
  O  O16  1  0.00414300  0.00414300  0.17967100  1
  O  O17  1  0.16004300  0.68649600  0.39262700  1
  O  O18  1  0.47689900  0.03542700  0.66163900  1
  O  O19  1  0.03542700  0.47689900  0.66163900  1
  O  O20  1  0.84191900  0.84191900  0.89391300  1
  O  O21  1  0.15742400  0.15742400  0.39625000  1
  O  O22  1  0.96460500  0.51441200  0.17108800  1
  O  O23  1  0.51441200  0.96460500  0.17108800  1
  O  O24  1  0.66108900  0.66108900  0.40018600  1
  O  O25  1  0.84722500  0.32413700  0.89829300  1
  O  O26  1  0.51435000  0.51435000  0.17281100  1
  O  O27  1  0.32413700  0.84722500  0.89829300  1
