# generated using pymatgen data_Ni2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72415883 _cell_length_b 7.72415883 _cell_length_c 8.70512547 _cell_angle_alpha 69.38766775 _cell_angle_beta 69.38766775 _cell_angle_gamma 66.69229809 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2(SO4)3 _chemical_formula_sum 'Ni4 S6 O24' _cell_volume 432.56167038 _cell_formula_units_Z 2 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 Ni Ni0 1 0.37631400 0.87564900 0.48168100 1.0 Ni Ni1 1 0.87564900 0.37631400 0.98168100 1.0 Ni Ni2 1 0.12435100 0.62368600 0.01831900 1.0 Ni Ni3 1 0.62368600 0.12435100 0.51831900 1.0 S S4 1 0.75044000 0.54162200 0.32026600 1.0 S S5 1 0.54162200 0.75044000 0.82026600 1.0 S S6 1 0.05081300 0.94918700 0.25000000 1.0 S S7 1 0.94918700 0.05081300 0.75000000 1.0 S S8 1 0.45837800 0.24956000 0.17973400 1.0 S S9 1 0.24956000 0.45837800 0.67973400 1.0 O O10 1 0.86742000 0.95971000 0.38433500 1.0 O O11 1 0.95971000 0.86742000 0.88433500 1.0 O O12 1 0.87249700 0.50353800 0.43190900 1.0 O O13 1 0.60819600 0.74030800 0.31213700 1.0 O O14 1 0.87074200 0.53692500 0.14058900 1.0 O O15 1 0.50353800 0.87249700 0.93190900 1.0 O O16 1 0.21308900 0.90759200 0.32272300 1.0 O O17 1 0.65112300 0.39346000 0.38028300 1.0 O O18 1 0.74030800 0.60819600 0.81213700 1.0 O O19 1 0.53692500 0.87074200 0.64058900 1.0 O O20 1 0.90759200 0.21308900 0.82272300 1.0 O O21 1 0.60654000 0.34887700 0.11971700 1.0 O O22 1 0.39346000 0.65112300 0.88028300 1.0 O O23 1 0.09240800 0.78691100 0.17727700 1.0 O O24 1 0.46307500 0.12925800 0.35941100 1.0 O O25 1 0.25969200 0.39180400 0.18786300 1.0 O O26 1 0.34887700 0.60654000 0.61971700 1.0 O O27 1 0.78691100 0.09240800 0.67727700 1.0 O O28 1 0.49646200 0.12750300 0.06809100 1.0 O O29 1 0.12925800 0.46307500 0.85941100 1.0 O O30 1 0.39180400 0.25969200 0.68786300 1.0 O O31 1 0.12750300 0.49646200 0.56809100 1.0 O O32 1 0.04029000 0.13258000 0.11566500 1.0 O O33 1 0.13258000 0.04029000 0.61566500 1.0