# generated using pymatgen data_LiNi(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36328700 _cell_length_b 8.36811576 _cell_length_c 8.99830611 _cell_angle_alpha 90.31588859 _cell_angle_beta 117.48794535 _cell_angle_gamma 119.76234963 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi(SO4)2 _chemical_formula_sum 'Li3 Ni3 S6 O24' _cell_volume 461.90365892 _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 0.29515300 0.64978700 0.93545400 1.0 Li Li1 1 0.06105900 0.24678600 0.63188400 1.0 Li Li2 1 0.81239000 0.56681500 0.62909300 1.0 Ni Ni3 1 0.68304500 0.84351400 0.53723700 1.0 Ni Ni4 1 0.71286900 0.35406100 0.07004100 1.0 Ni Ni5 1 0.30245800 0.14864900 0.45610700 1.0 S S6 1 0.50219800 0.53865300 0.74838700 1.0 S S7 1 0.77998600 0.23982400 0.74536800 1.0 S S8 1 0.20454900 0.96302300 0.74347400 1.0 S S9 1 0.80326800 0.04807600 0.25360000 1.0 S S10 1 0.20434200 0.75251600 0.25172400 1.0 S S11 1 0.49338600 0.44785000 0.25155800 1.0 O O12 1 0.37781700 0.48519800 0.09063400 1.0 O O13 1 0.60493900 0.89268400 0.09416000 1.0 O O14 1 0.65820500 0.65734600 0.69531000 1.0 O O15 1 0.18743400 0.71244200 0.08283000 1.0 O O16 1 0.31733300 0.34306100 0.60557600 1.0 O O17 1 0.38673300 0.62048900 0.75844800 1.0 O O18 1 0.98752600 0.36421600 0.75144400 1.0 O O19 1 0.69529100 0.03434900 0.69522100 1.0 O O20 1 0.12117000 0.76341200 0.75222800 1.0 O O21 1 0.97413800 0.01081400 0.29282500 1.0 O O22 1 0.77401000 0.04308200 0.40717400 1.0 O O23 1 0.35773900 0.71502800 0.38955700 1.0 O O24 1 0.62809400 0.28518500 0.60714400 1.0 O O25 1 0.25037000 0.97174400 0.59985600 1.0 O O26 1 0.03438400 0.00349100 0.69748000 1.0 O O27 1 0.87176900 0.24201000 0.23347100 1.0 O O28 1 0.28692300 0.96080700 0.29925100 1.0 O O29 1 0.99293200 0.62884100 0.23595300 1.0 O O30 1 0.60457700 0.36223900 0.23509600 1.0 O O31 1 0.67112200 0.63125600 0.40445200 1.0 O O32 1 0.81062300 0.29796400 0.91541600 1.0 O O33 1 0.33043400 0.31616400 0.29512400 1.0 O O34 1 0.40223600 0.10396100 0.91207300 1.0 O O35 1 0.61869600 0.50836100 0.91455300 1.0