# generated using pymatgen
data_Li4Fe5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87294000
_cell_length_b   5.17242000
_cell_length_c   9.76634928
_cell_angle_alpha   80.78655955
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe5(NiO6)2
_chemical_formula_sum   'Li8 Fe10 Ni4 O24'
_cell_volume   442.43978611
_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  0.90630500  0.00822800  0.74532900  1
  Li  Li1  1  0.91588700  0.48713400  0.25676400  1
  Li  Li2  1  0.58371300  0.75956600  0.50297600  1
  Li  Li3  1  0.58966800  0.50177500  0.25538700  1
  Li  Li4  1  0.40630500  0.99177200  0.25467100  1
  Li  Li5  1  0.41588700  0.51286600  0.74323600  1
  Li  Li6  1  0.08371300  0.24043400  0.49702400  1
  Li  Li7  1  0.08966800  0.49822500  0.74461300  1
  Fe  Fe8  1  0.91841400  0.25457200  0.00232700  1
  Fe  Fe9  1  0.92187200  0.74747900  0.49674100  1
  Fe  Fe10  1  0.75145100  0.99199300  0.25598100  1
  Fe  Fe11  1  0.58024200  0.24107500  0.99621100  1
  Fe  Fe12  1  0.74286000  0.51153500  0.74012900  1
  Fe  Fe13  1  0.42187200  0.25252100  0.50325900  1
  Fe  Fe14  1  0.41841400  0.74542800  0.99767300  1
  Fe  Fe15  1  0.25145100  0.00800700  0.74401900  1
  Fe  Fe16  1  0.24286000  0.48846500  0.25987100  1
  Fe  Fe17  1  0.08024200  0.75892500  0.00378900  1
  Ni  Ni18  1  0.74851600  0.24527800  0.50379500  1
  Ni  Ni19  1  0.74685700  0.75384300  0.99352500  1
  Ni  Ni20  1  0.24685700  0.24615700  0.00647500  1
  Ni  Ni21  1  0.24851600  0.75472200  0.49620500  1
  O  O22  1  0.89647000  0.12187900  0.38781100  1
  O  O23  1  0.90833900  0.88963900  0.11347900  1
  O  O24  1  0.75395200  0.14867300  0.88018600  1
  O  O25  1  0.76748700  0.85375300  0.62352700  1
  O  O26  1  0.91577100  0.61276400  0.87978800  1
  O  O27  1  0.90056400  0.37724000  0.61783500  1
  O  O28  1  0.76172400  0.64358500  0.36810600  1
  O  O29  1  0.59609500  0.13695000  0.38406500  1
  O  O30  1  0.58357900  0.88481500  0.12008000  1
  O  O31  1  0.74815400  0.35548100  0.12283000  1
  O  O32  1  0.58192500  0.59837700  0.88076500  1
  O  O33  1  0.40833900  0.11036100  0.88652100  1
  O  O34  1  0.59531600  0.38394000  0.60954900  1
  O  O35  1  0.39647000  0.87812100  0.61218900  1
  O  O36  1  0.26748700  0.14624700  0.37647300  1
  O  O37  1  0.40056400  0.62276000  0.38216500  1
  O  O38  1  0.41577100  0.38723600  0.12021200  1
  O  O39  1  0.25395200  0.85132700  0.11981400  1
  O  O40  1  0.24815400  0.64451900  0.87717000  1
  O  O41  1  0.08357900  0.11518500  0.87992000  1
  O  O42  1  0.09609500  0.86305000  0.61593500  1
  O  O43  1  0.26172400  0.35641500  0.63189400  1
  O  O44  1  0.09531600  0.61606000  0.39045100  1
  O  O45  1  0.08192500  0.40162300  0.11923500  1
