# generated using pymatgen
data_Li5NiOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49617786
_cell_length_b   6.34160007
_cell_length_c   15.25326983
_cell_angle_alpha   90.01040717
_cell_angle_beta   89.94083872
_cell_angle_gamma   89.98789445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NiOF5
_chemical_formula_sum   'Li20 Ni4 O4 F20'
_cell_volume   531.64573326
_cell_formula_units_Z   4
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  0.33350800  0.50005500  0.33811800  1
  Li  Li1  1  0.83352400  0.74987800  0.33812700  1
  Li  Li2  1  0.33351100  0.00005500  0.33811700  1
  Li  Li3  1  0.83350500  0.24987300  0.33812700  1
  Li  Li4  1  0.33334100  0.49994900  0.66219800  1
  Li  Li5  1  0.83338700  0.75015600  0.66220000  1
  Li  Li6  1  0.33339200  0.00003300  0.66223700  1
  Li  Li7  1  0.83343400  0.25007100  0.66220600  1
  Li  Li8  1  0.16671900  0.25005100  0.50003500  1
  Li  Li9  1  0.66671500  0.50004500  0.50004200  1
  Li  Li10  1  0.16672100  0.75005800  0.50003700  1
  Li  Li11  1  0.66670900  0.00004700  0.50003900  1
  Li  Li12  1  0.16733000  0.25030200  0.17680600  1
  Li  Li13  1  0.66726200  0.49947200  0.17679000  1
  Li  Li14  1  0.16718700  0.75021500  0.17676600  1
  Li  Li15  1  0.66728800  0.99922300  0.17679500  1
  Li  Li16  1  0.16648900  0.24934100  0.82521700  1
  Li  Li17  1  0.66662000  0.50086300  0.82496300  1
  Li  Li18  1  0.16665800  0.74938300  0.82501500  1
  Li  Li19  1  0.66655800  0.00108700  0.82510600  1
  Ni  Ni20  1  0.33215400  0.49559800  0.99154100  1
  Ni  Ni21  1  0.83193200  0.75475200  0.99144400  1
  Ni  Ni22  1  0.33179900  0.99553400  0.99173700  1
  Ni  Ni23  1  0.83195500  0.25443900  0.99181000  1
  O  O24  1  0.16591700  0.24663900  0.95585800  1
  O  O25  1  0.66618300  0.50345000  0.95564600  1
  O  O26  1  0.16605600  0.74666200  0.95563600  1
  O  O27  1  0.66572100  0.00369800  0.95568800  1
  F  F28  1  0.33364100  0.50000500  0.46217800  1
  F  F29  1  0.83363500  0.74997900  0.46218100  1
  F  F30  1  0.33363700  0.00000200  0.46217500  1
  F  F31  1  0.83363100  0.24998000  0.46218500  1
  F  F32  1  0.33342400  0.49936400  0.78635500  1
  F  F33  1  0.83350000  0.75088000  0.78636200  1
  F  F34  1  0.33354800  0.99954500  0.78639800  1
  F  F35  1  0.83361900  0.25070600  0.78634500  1
  F  F36  1  0.33421800  0.50028100  0.14004800  1
  F  F37  1  0.83420700  0.74927000  0.13997300  1
  F  F38  1  0.33420100  0.00028500  0.14007800  1
  F  F39  1  0.83416400  0.24921500  0.14008200  1
  F  F40  1  0.16682300  0.25008200  0.30057300  1
  F  F41  1  0.66685600  0.49988800  0.30057000  1
  F  F42  1  0.16682700  0.75008800  0.30055400  1
  F  F43  1  0.66686000  0.99985800  0.30056200  1
  F  F44  1  0.16670800  0.25000900  0.62428500  1
  F  F45  1  0.66671300  0.50010000  0.62432100  1
  F  F46  1  0.16671600  0.75002300  0.62430800  1
  F  F47  1  0.66669200  0.00010400  0.62429500  1
