# generated using pymatgen
data_Li2Fe2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04917329
_cell_length_b   5.04917329
_cell_length_c   10.15864300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01673570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2NiO6
_chemical_formula_sum   'Li4 Fe4 Ni2 O12'
_cell_volume   224.25060259
_cell_formula_units_Z   2
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  0.15880400  0.65880400  0.25000000  1
  Li  Li1  1  0.34119600  0.84119600  0.75000000  1
  Li  Li2  1  0.65880400  0.15880400  0.25000000  1
  Li  Li3  1  0.84119600  0.34119600  0.75000000  1
  Fe  Fe4  1  0.33577000  0.66423000  0.00000000  1
  Fe  Fe5  1  0.16423000  0.83577000  0.50000000  1
  Fe  Fe6  1  0.83577000  0.16423000  0.50000000  1
  Fe  Fe7  1  0.66423000  0.33577000  0.00000000  1
  Ni  Ni8  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1
  O  O10  1  0.14433100  0.50739200  0.60456200  1
  O  O11  1  0.85566900  0.49260800  0.39543800  1
  O  O12  1  0.00739200  0.64433100  0.89543800  1
  O  O13  1  0.35566900  0.99260800  0.10456200  1
  O  O14  1  0.64864300  0.64864300  0.09809900  1
  O  O15  1  0.85135700  0.85135700  0.59809900  1
  O  O16  1  0.14864300  0.14864300  0.40190100  1
  O  O17  1  0.49260800  0.85566900  0.39543800  1
  O  O18  1  0.35135700  0.35135700  0.90190100  1
  O  O19  1  0.64433100  0.00739200  0.89543800  1
  O  O20  1  0.99260800  0.35566900  0.10456200  1
  O  O21  1  0.50739200  0.14433100  0.60456200  1
