# generated using pymatgen
data_Li2Fe2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69739581
_cell_length_b   7.69739607
_cell_length_c   5.92010462
_cell_angle_alpha   101.91027711
_cell_angle_beta   101.91028764
_cell_angle_gamma   68.54973604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2NiO6
_chemical_formula_sum   'Li6 Fe6 Ni3 O18'
_cell_volume   316.12425645
_cell_formula_units_Z   3
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  0.66919800  0.32416400  0.50145900  1
  Li  Li1  1  0.32416400  0.66919800  0.50145900  1
  Li  Li2  1  0.66558800  0.00107900  0.16666700  1
  Li  Li3  1  0.00107900  0.66558800  0.16666700  1
  Li  Li4  1  0.34250300  0.99746900  0.83187400  1
  Li  Li5  1  0.99746900  0.34250300  0.83187400  1
  Fe  Fe6  1  0.00118600  0.00118600  0.99852500  1
  Fe  Fe7  1  0.66548100  0.66548100  0.33480800  1
  Fe  Fe8  1  0.66329100  0.33327900  0.99760500  1
  Fe  Fe9  1  0.33327900  0.66329100  0.99760500  1
  Fe  Fe10  1  0.33338800  0.00337600  0.33572900  1
  Fe  Fe11  1  0.00337600  0.33338800  0.33572900  1
  Ni  Ni12  1  0.67123600  0.99543100  0.66666700  1
  Ni  Ni13  1  0.33333300  0.33333300  0.66666700  1
  Ni  Ni14  1  0.99543100  0.67123600  0.66666700  1
  O  O15  1  0.81199000  0.81199000  0.41101100  1
  O  O16  1  0.82656100  0.48840900  0.11076400  1
  O  O17  1  0.48840900  0.82656100  0.11076400  1
  O  O18  1  0.85467700  0.85467700  0.92232200  1
  O  O19  1  0.83330800  0.49042200  0.54545800  1
  O  O20  1  0.49042200  0.83330800  0.54545800  1
  O  O21  1  0.84010500  0.17825800  0.22256900  1
  O  O22  1  0.51046700  0.51046700  0.23055500  1
  O  O23  1  0.17825800  0.84010500  0.22256900  1
  O  O24  1  0.83335900  0.17624500  0.78787500  1
  O  O25  1  0.49800100  0.49800100  0.78007600  1
  O  O26  1  0.17624500  0.83335900  0.78787500  1
  O  O27  1  0.48971500  0.14464400  0.41935400  1
  O  O28  1  0.14464400  0.48971500  0.41935400  1
  O  O29  1  0.15620000  0.15620000  0.10277900  1
  O  O30  1  0.52202200  0.17695200  0.91397900  1
  O  O31  1  0.17695200  0.52202200  0.91397900  1
  O  O32  1  0.16866600  0.16866600  0.55325700  1
