# generated using pymatgen data_LiNi(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08003700 _cell_length_b 9.22061900 _cell_length_c 13.74807800 _cell_angle_alpha 89.73866881 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi(SO4)2 _chemical_formula_sum 'Li8 Ni8 S16 O64' _cell_volume 1151.02608399 _cell_formula_units_Z 8 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 0.53492400 0.04730200 0.62610300 1.0 Li Li1 1 0.46507600 0.04730200 0.12610300 1.0 Li Li2 1 0.03578900 0.45265400 0.62441000 1.0 Li Li3 1 0.96421100 0.45265400 0.12441000 1.0 Li Li4 1 0.29728600 0.76788200 0.87318600 1.0 Li Li5 1 0.70271400 0.76788200 0.37318600 1.0 Li Li6 1 0.97501800 0.95976500 0.37359000 1.0 Li Li7 1 0.02498200 0.95976500 0.87359000 1.0 Ni Ni8 1 0.64284500 0.13935500 0.87701800 1.0 Ni Ni9 1 0.35715500 0.13935500 0.37701800 1.0 Ni Ni10 1 0.14349600 0.36164500 0.87634700 1.0 Ni Ni11 1 0.85650400 0.36164500 0.37634700 1.0 Ni Ni12 1 0.64308900 0.63942400 0.62450600 1.0 Ni Ni13 1 0.35691100 0.63942400 0.12450600 1.0 Ni Ni14 1 0.14506200 0.86108000 0.62388300 1.0 Ni Ni15 1 0.85493800 0.86108000 0.12388300 1.0 S S16 1 0.68343100 0.07825600 0.27398400 1.0 S S17 1 0.31656900 0.07825600 0.77398400 1.0 S S18 1 0.06518200 0.16016900 0.50918700 1.0 S S19 1 0.93481800 0.16016900 0.00918700 1.0 S S20 1 0.56341000 0.34333900 0.50753100 1.0 S S21 1 0.43659000 0.34333900 0.00753100 1.0 S S22 1 0.81786100 0.42271000 0.77352000 1.0 S S23 1 0.18213900 0.42271000 0.27352000 1.0 S S24 1 0.31822300 0.57445000 0.72493300 1.0 S S25 1 0.68177700 0.57445000 0.22493300 1.0 S S26 1 0.06391700 0.66053200 0.99049300 1.0 S S27 1 0.93608300 0.66053200 0.49049300 1.0 S S28 1 0.56581400 0.84051600 0.99080600 1.0 S S29 1 0.43418600 0.84051600 0.49080600 1.0 S S30 1 0.18359000 0.92206900 0.22745400 1.0 S S31 1 0.81641000 0.92206900 0.72745400 1.0 O O32 1 0.04947300 0.00000000 0.52374900 1.0 O O33 1 0.95052700 0.00000000 0.02374900 1.0 O O34 1 0.75289000 0.01447700 0.65120300 1.0 O O35 1 0.24711000 0.01447700 0.15120300 1.0 O O36 1 0.28588300 0.02165000 0.67367400 1.0 O O37 1 0.71411700 0.02165000 0.17367400 1.0 O O38 1 0.51775800 0.07915800 0.27802800 1.0 O O39 1 0.48224200 0.07915800 0.77802800 1.0 O O40 1 0.02346100 0.18671400 0.91848200 1.0 O O41 1 0.97653900 0.18671400 0.41848200 1.0 O O42 1 0.77887600 0.20076200 0.98832800 1.0 O O43 1 0.22112400 0.20076200 0.48832800 1.0 O O44 1 0.74453200 0.22601300 0.28081600 1.0 O O45 1 0.25546800 0.22601300 0.78081600 1.0 O O46 1 0.01576400 0.24251200 0.59314700 1.0 O O47 1 0.98423600 0.24251200 0.09314700 1.0 O O48 1 0.51802200 0.25744200 0.59217200 1.0 O O49 1 0.48197800 0.25744200 0.09217200 1.0 O O50 1 0.75573800 0.27374900 0.78072400 1.0 O O51 1 0.24426200 0.27374900 0.28072400 1.0 O O52 1 0.72008100 0.30289100 0.48714300 1.0 O O53 1 0.27991900 0.30289100 0.98714300 1.0 O O54 1 0.52586500 0.31451300 0.91882700 1.0 O O55 1 0.47413500 0.31451300 0.41882700 1.0 O O56 1 0.98404400 0.41768200 0.77480300 1.0 O O57 1 0.01595600 0.41768200 0.27480300 1.0 O O58 1 0.21485300 0.47968900 0.17344900 1.0 O O59 1 0.78514700 0.47968900 0.67344900 1.0 O O60 1 0.25143200 0.48521000 0.64986600 1.0 O O61 1 0.74856800 0.48521000 0.14986600 1.0 O O62 1 0.54733400 0.50132200 0.52530600 1.0 O O63 1 0.45266600 0.50132200 0.02530600 1.0 O O64 1 0.04739000 0.50068300 0.97538000 1.0 O O65 1 0.95261000 0.50068300 0.47538000 1.0 O O66 1 0.24177400 0.51303600 0.35134800 1.0 O O67 1 0.75822600 0.51303600 0.85134800 1.0 O O68 1 0.28326500 0.52250600 0.82662300 1.0 O O69 1 0.71673500 0.52250600 0.32662300 1.0 O O70 1 0.48217200 0.57471700 0.72069500 1.0 O O71 1 0.51782800 0.57471700 0.22069500 1.0 O O72 1 0.02331700 0.68699100 0.58064400 1.0 O O73 1 0.97668300 0.68699100 0.08064400 1.0 O O74 1 0.22225900 0.69881500 0.00987300 1.0 O O75 1 0.77774100 0.69881500 0.50987300 1.0 O O76 1 0.26095100 0.72773800 0.72332300 1.0 O O77 1 0.73904900 0.72773800 0.22332300 1.0 O O78 1 0.02007600 0.74505300 0.90512200 1.0 O O79 1 0.97992400 0.74505300 0.40512200 1.0 O O80 1 0.50873500 0.76455900 0.90631300 1.0 O O81 1 0.49126500 0.76455900 0.40631300 1.0 O O82 1 0.24390600 0.77274300 0.22115400 1.0 O O83 1 0.75609400 0.77274300 0.72115400 1.0 O O84 1 0.27943300 0.79963900 0.50999900 1.0 O O85 1 0.72056700 0.79963900 0.00999900 1.0 O O86 1 0.52357100 0.81515500 0.58189700 1.0 O O87 1 0.47642900 0.81515500 0.08189700 1.0 O O88 1 0.01805600 0.92075200 0.22418600 1.0 O O89 1 0.98194400 0.92075200 0.72418600 1.0 O O90 1 0.21621200 0.97870200 0.32768200 1.0 O O91 1 0.78378800 0.97870200 0.82768200 1.0 O O92 1 0.74670100 0.98210600 0.34954300 1.0 O O93 1 0.25329900 0.98210600 0.84954300 1.0 O O94 1 0.55149200 0.00277500 0.97847300 1.0 O O95 1 0.44850800 0.00277500 0.47847300 1.0