# generated using pymatgen data_LiNi(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42321300 _cell_length_b 8.45059087 _cell_length_c 8.98515279 _cell_angle_alpha 62.29695669 _cell_angle_beta 62.37784744 _cell_angle_gamma 60.14727473 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi(SO4)2 _chemical_formula_sum 'Li3 Ni3 S6 O24' _cell_volume 468.12235977 _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 0.16163500 0.15359800 0.55251100 1.0 Li Li1 1 0.18096600 0.77155900 0.63189400 1.0 Li Li2 1 0.77246300 0.41785600 0.63001200 1.0 Ni Ni3 1 0.35507200 0.35191000 0.93664400 1.0 Ni Ni4 1 0.64147800 0.64551900 0.06868300 1.0 Ni Ni5 1 0.84733700 0.84980200 0.45288300 1.0 S S6 1 0.03747000 0.46621000 0.75177900 1.0 S S7 1 0.46362300 0.74644100 0.74952400 1.0 S S8 1 0.74833600 0.03627300 0.74758900 1.0 S S9 1 0.24726000 0.95600000 0.24710600 1.0 S S10 1 0.54587200 0.24883400 0.24863200 1.0 S S11 1 0.95646000 0.54951600 0.24707600 1.0 O O12 1 0.10532200 0.51476200 0.08293400 1.0 O O13 1 0.29867900 0.10435600 0.08387300 1.0 O O14 1 0.00152600 0.34812700 0.69947500 1.0 O O15 1 0.52291700 0.29603100 0.07680100 1.0 O O16 1 0.02822500 0.65897400 0.60981900 1.0 O O17 1 0.23345300 0.37966100 0.76679700 1.0 O O18 1 0.37815400 0.61948800 0.75990200 1.0 O O19 1 0.34078400 0.94700200 0.69928000 1.0 O O20 1 0.63082200 0.23656400 0.75966300 1.0 O O21 1 0.04352400 0.98659300 0.28629100 1.0 O O22 1 0.26838900 0.96142500 0.40116600 1.0 O O23 1 0.35882200 0.27866100 0.38891900 1.0 O O24 1 0.65757600 0.70394800 0.61024500 1.0 O O25 1 0.71343400 0.02729800 0.60359700 1.0 O O26 1 0.95448900 0.00059200 0.70221700 1.0 O O27 1 0.37421700 0.76018300 0.23087800 1.0 O O28 1 0.67649900 0.04480200 0.29090500 1.0 O O29 1 0.63102300 0.37536900 0.23400400 1.0 O O30 1 0.75940800 0.63452200 0.23126200 1.0 O O31 1 0.96235900 0.36907000 0.39909700 1.0 O O32 1 0.48889500 0.68824000 0.92156800 1.0 O O33 1 0.98529600 0.68282400 0.28866500 1.0 O O34 1 0.68836400 0.89909200 0.91846700 1.0 O O35 1 0.89324800 0.49410100 0.92104000 1.0