# generated using pymatgen data_Ni2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71855100 _cell_length_b 8.39650400 _cell_length_c 14.49210996 _cell_angle_alpha 55.40087892 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2(SO4)3 _chemical_formula_sum 'Ni8 S12 O48' _cell_volume 873.27457980 _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 Ni Ni0 1 0.97247800 0.36146800 0.88595900 1.0 Ni Ni1 1 0.47247800 0.63853200 0.61404100 1.0 Ni Ni2 1 0.02997000 0.86930500 0.38348900 1.0 Ni Ni3 1 0.52997000 0.13069500 0.11651100 1.0 Ni Ni4 1 0.47003000 0.86930500 0.88348900 1.0 Ni Ni5 1 0.97003000 0.13069500 0.61651100 1.0 Ni Ni6 1 0.52752200 0.36146800 0.38595900 1.0 Ni Ni7 1 0.02752200 0.63853200 0.11404100 1.0 S S8 1 0.75217500 0.55115000 0.49283500 1.0 S S9 1 0.61627000 0.25716900 0.84986200 1.0 S S10 1 0.88918700 0.96378500 0.14659300 1.0 S S11 1 0.11627000 0.74283100 0.65013800 1.0 S S12 1 0.38918700 0.03621500 0.35340700 1.0 S S13 1 0.25217500 0.44885000 0.00716500 1.0 S S14 1 0.74782500 0.55115000 0.99283500 1.0 S S15 1 0.61081300 0.96378500 0.64659300 1.0 S S16 1 0.88373000 0.25716900 0.34986200 1.0 S S17 1 0.11081300 0.03621500 0.85340700 1.0 S S18 1 0.38373000 0.74283100 0.15013800 1.0 S S19 1 0.24782500 0.44885000 0.50716500 1.0 O O20 1 0.13120900 0.60139700 0.45014900 1.0 O O21 1 0.11637100 0.15454800 0.90036900 1.0 O O22 1 0.32189900 0.45314700 0.59834300 1.0 O O23 1 0.42651800 0.86559300 0.18947700 1.0 O O24 1 0.63422300 0.50969600 0.57766200 1.0 O O25 1 0.78414500 0.29801300 0.82695800 1.0 O O26 1 0.58191500 0.16494100 0.96795500 1.0 O O27 1 0.99788100 0.87926700 0.24109200 1.0 O O28 1 0.73346700 0.97317400 0.18376600 1.0 O O29 1 0.81898500 0.74503500 0.44396900 1.0 O O30 1 0.53671300 0.44737300 0.78025400 1.0 O O31 1 0.03671300 0.55262700 0.71974600 1.0 O O32 1 0.93676700 0.16462400 0.05642300 1.0 O O33 1 0.43676700 0.83537600 0.44357700 1.0 O O34 1 0.31898500 0.25496500 0.05603100 1.0 O O35 1 0.23346700 0.02682600 0.31623400 1.0 O O36 1 0.08191500 0.83505900 0.53204500 1.0 O O37 1 0.49788100 0.12073300 0.25890800 1.0 O O38 1 0.28414500 0.70198700 0.67304200 1.0 O O39 1 0.13422300 0.49030400 0.92233800 1.0 O O40 1 0.82189900 0.54685300 0.90165700 1.0 O O41 1 0.61637100 0.84545200 0.59963100 1.0 O O42 1 0.92651800 0.13440700 0.31052300 1.0 O O43 1 0.63120900 0.39860300 0.04985100 1.0 O O44 1 0.36879100 0.60139700 0.95014900 1.0 O O45 1 0.07348200 0.86559300 0.68947700 1.0 O O46 1 0.38362900 0.15454800 0.40036900 1.0 O O47 1 0.17810100 0.45314700 0.09834300 1.0 O O48 1 0.86577700 0.50969600 0.07766200 1.0 O O49 1 0.71585500 0.29801300 0.32695800 1.0 O O50 1 0.50211900 0.87926700 0.74109200 1.0 O O51 1 0.91808500 0.16494100 0.46795500 1.0 O O52 1 0.76653300 0.97317400 0.68376600 1.0 O O53 1 0.68101500 0.74503500 0.94396900 1.0 O O54 1 0.56323300 0.16462400 0.55642300 1.0 O O55 1 0.06323300 0.83537600 0.94357700 1.0 O O56 1 0.96328700 0.44737300 0.28025400 1.0 O O57 1 0.46328700 0.55262700 0.21974600 1.0 O O58 1 0.18101500 0.25496500 0.55603100 1.0 O O59 1 0.26653300 0.02682600 0.81623400 1.0 O O60 1 0.00211900 0.12073300 0.75890800 1.0 O O61 1 0.41808500 0.83505900 0.03204500 1.0 O O62 1 0.21585500 0.70198700 0.17304200 1.0 O O63 1 0.36577700 0.49030400 0.42233800 1.0 O O64 1 0.57348200 0.13440700 0.81052300 1.0 O O65 1 0.67810100 0.54685300 0.40165700 1.0 O O66 1 0.88362900 0.84545200 0.09963100 1.0 O O67 1 0.86879100 0.39860300 0.54985100 1.0