# generated using pymatgen
data_Li2(NiO2)21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42776300
_cell_length_b   7.57462531
_cell_length_c   13.79598136
_cell_angle_alpha   85.38120560
_cell_angle_beta   101.16922898
_cell_angle_gamma   114.61458431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2(NiO2)21
_chemical_formula_sum   'Li2 Ni21 O42'
_cell_volume   692.29803995
_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  0.59505600  0.52394900  0.73805400  1
  Li  Li1  1  0.40494400  0.47605100  0.26194600  1
  Ni  Ni2  1  0.76237900  0.69155000  0.40643800  1
  Ni  Ni3  1  0.66586700  0.16795600  0.16654800  1
  Ni  Ni4  1  0.42721900  0.35448100  0.06970800  1
  Ni  Ni5  1  0.57278100  0.64551900  0.93029200  1
  Ni  Ni6  1  0.33413300  0.83204400  0.83345200  1
  Ni  Ni7  1  0.09512900  0.02375000  0.73794900  1
  Ni  Ni8  1  0.47610400  0.11760400  0.68892900  1
  Ni  Ni9  1  0.23762100  0.30845000  0.59356200  1
  Ni  Ni10  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni11  1  0.38278900  0.59874400  0.45446300  1
  Ni  Ni12  1  0.14308400  0.78416300  0.35748400  1
  Ni  Ni13  1  0.90487100  0.97625000  0.26205100  1
  Ni  Ni14  1  0.28570000  0.06988600  0.21288500  1
  Ni  Ni15  1  0.04744500  0.26093900  0.11723300  1
  Ni  Ni16  1  0.80863900  0.45120200  0.02335100  1
  Ni  Ni17  1  0.19136100  0.54879800  0.97664900  1
  Ni  Ni18  1  0.95255500  0.73906100  0.88276700  1
  Ni  Ni19  1  0.71430000  0.93011400  0.78711500  1
  Ni  Ni20  1  0.85691600  0.21583700  0.64251600  1
  Ni  Ni21  1  0.61721100  0.40125600  0.54553700  1
  Ni  Ni22  1  0.52389600  0.88239600  0.31107100  1
  O  O23  1  0.00120200  0.09135000  0.60428200  1
  O  O24  1  0.90772800  0.56196100  0.37113800  1
  O  O25  1  0.65482200  0.73888100  0.27933800  1
  O  O26  1  0.51723600  0.29733600  0.19948800  1
  O  O27  1  0.81085900  0.04381000  0.12804100  1
  O  O28  1  0.57530700  0.22789600  0.03626300  1
  O  O29  1  0.33804700  0.42075700  0.94128900  1
  O  O30  1  0.42469300  0.77210400  0.96373700  1
  O  O31  1  0.18914100  0.95619000  0.87195900  1
  O  O32  1  0.71628400  0.51575300  0.89404900  1
  O  O33  1  0.48276400  0.70266400  0.80051200  1
  O  O34  1  0.25014000  0.89191000  0.70359200  1
  O  O35  1  0.34517800  0.26111900  0.72066200  1
  O  O36  1  0.09227200  0.43803900  0.62886200  1
  O  O37  1  0.62510800  0.98833000  0.65678000  1
  O  O38  1  0.85295700  0.62603300  0.53564300  1
  O  O39  1  0.38338200  0.17772800  0.55891700  1
  O  O40  1  0.14704300  0.37396700  0.46435700  1
  O  O41  1  0.23377100  0.72426900  0.48748200  1
  O  O42  1  0.99879800  0.90865000  0.39571800  1
  O  O43  1  0.52535700  0.46816200  0.41697200  1
  O  O44  1  0.74986000  0.10809000  0.29640800  1
  O  O45  1  0.29267800  0.65471100  0.32484800  1
  O  O46  1  0.05971200  0.84457100  0.22728700  1
  O  O47  1  0.15485000  0.21406300  0.24436300  1
  O  O48  1  0.90112700  0.39104300  0.15185600  1
  O  O49  1  0.43474100  0.94087600  0.18067900  1
  O  O50  1  0.66195300  0.57924300  0.05871100  1
  O  O51  1  0.19311500  0.13075900  0.08279000  1
  O  O52  1  0.95537100  0.32484900  0.98789000  1
  O  O53  1  0.04462900  0.67515100  0.01211000  1
  O  O54  1  0.80688500  0.86924100  0.91721000  1
  O  O55  1  0.56525900  0.05912400  0.81932100  1
  O  O56  1  0.09887300  0.60895700  0.84814400  1
  O  O57  1  0.84515000  0.78593700  0.75563700  1
  O  O58  1  0.94028800  0.15542900  0.77271300  1
  O  O59  1  0.70732200  0.34528900  0.67515200  1
  O  O60  1  0.47464300  0.53183800  0.58302800  1
  O  O61  1  0.76622900  0.27573100  0.51251800  1
  O  O62  1  0.61661800  0.82227200  0.44108300  1
  O  O63  1  0.37489200  0.01167000  0.34322000  1
  O  O64  1  0.28371600  0.48424700  0.10595100  1
