# generated using pymatgen data_Li5Ni3O5F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59938400 _cell_length_b 5.75624413 _cell_length_c 5.98309470 _cell_angle_alpha 118.67083208 _cell_angle_beta 117.37320033 _cell_angle_gamma 90.35921055 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Ni3O5F3 _chemical_formula_sum 'Li5 Ni3 O5 F3' _cell_volume 143.74383446 _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 0.50106900 0.49866500 0.50165100 1.0 Li Li1 1 0.99655200 0.00273200 0.00311400 1.0 Li Li2 1 0.99780000 0.47351700 0.01223300 1.0 Li Li3 1 0.99031800 0.53034600 0.47985300 1.0 Li Li4 1 0.50864000 0.48828400 0.00404800 1.0 Ni Ni5 1 0.50650300 0.00422200 0.00140500 1.0 Ni Ni6 1 0.51918400 0.95042100 0.53441800 1.0 Ni Ni7 1 0.00014900 0.00189600 0.49903300 1.0 O O8 1 0.74795900 0.26040700 0.99390400 1.0 O O9 1 0.26194000 0.72257600 0.53641300 1.0 O O10 1 0.75863200 0.78217700 0.50288700 1.0 O O11 1 0.24302700 0.21868000 0.49695000 1.0 O O12 1 0.73489200 0.28195100 0.45950700 1.0 F F13 1 0.27859100 0.15659600 0.06669700 1.0 F F14 1 0.72282600 0.83972500 0.93646100 1.0 F F15 1 0.23191700 0.78780500 0.97142600 1.0