# generated using pymatgen data_LiNi2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73627100 _cell_length_b 8.46303000 _cell_length_c 14.71520077 _cell_angle_alpha 55.50483070 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi2(SO4)3 _chemical_formula_sum 'Li4 Ni8 S12 O48' _cell_volume 896.67910159 _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 Li Li0 1 0.78239900 0.99125800 0.32131400 1.0 Li Li1 1 0.28239900 0.00874200 0.17868600 1.0 Li Li2 1 0.71760100 0.99125800 0.82131400 1.0 Li Li3 1 0.21760100 0.00874200 0.67868600 1.0 Ni Ni4 1 0.53356800 0.36635800 0.88317500 1.0 Ni Ni5 1 0.96210900 0.14351200 0.10928800 1.0 Ni Ni6 1 0.03356800 0.63364200 0.61682500 1.0 Ni Ni7 1 0.46210900 0.85648800 0.39071200 1.0 Ni Ni8 1 0.53789100 0.14351200 0.60928800 1.0 Ni Ni9 1 0.96643200 0.36635800 0.38317500 1.0 Ni Ni10 1 0.03789100 0.85648800 0.89071200 1.0 Ni Ni11 1 0.46643200 0.63364200 0.11682500 1.0 S S12 1 0.25086200 0.45700600 0.00681200 1.0 S S13 1 0.38342400 0.74648800 0.64970100 1.0 S S14 1 0.11159600 0.03592500 0.35416100 1.0 S S15 1 0.61159600 0.96407500 0.14583900 1.0 S S16 1 0.88342400 0.25351200 0.85029900 1.0 S S17 1 0.75086200 0.54299400 0.49318800 1.0 S S18 1 0.24913800 0.45700600 0.50681200 1.0 S S19 1 0.11657600 0.74648800 0.14970100 1.0 S S20 1 0.38840400 0.03592500 0.85416100 1.0 S S21 1 0.88840400 0.96407500 0.64583900 1.0 S S22 1 0.61657600 0.25351200 0.35029900 1.0 S S23 1 0.74913800 0.54299400 0.99318800 1.0 O O24 1 0.86805500 0.39770900 0.05975000 1.0 O O25 1 0.87534400 0.81510800 0.62250700 1.0 O O26 1 0.58314600 0.10839100 0.32456300 1.0 O O27 1 0.69029000 0.53067800 0.90258000 1.0 O O28 1 0.37345000 0.48305100 0.93045900 1.0 O O29 1 0.21488600 0.71225900 0.67189100 1.0 O O30 1 0.41666400 0.83143300 0.53297100 1.0 O O31 1 0.99271400 0.09211700 0.26775600 1.0 O O32 1 0.18249600 0.26065300 0.06157000 1.0 O O33 1 0.26187800 0.01529800 0.31323500 1.0 O O34 1 0.06370200 0.84972600 0.45337000 1.0 O O35 1 0.47555100 0.57178600 0.72006400 1.0 O O36 1 0.97555100 0.42821400 0.77993600 1.0 O O37 1 0.56370200 0.15027400 0.04663000 1.0 O O38 1 0.76187800 0.98470200 0.18676500 1.0 O O39 1 0.68249600 0.73934700 0.43843000 1.0 O O40 1 0.91666400 0.16856700 0.96702900 1.0 O O41 1 0.49271400 0.90788300 0.23224400 1.0 O O42 1 0.71488600 0.28774100 0.82810900 1.0 O O43 1 0.87345000 0.51694900 0.56954100 1.0 O O44 1 0.19029000 0.46932200 0.59742000 1.0 O O45 1 0.37534400 0.18489200 0.87749300 1.0 O O46 1 0.08314600 0.89160900 0.17543700 1.0 O O47 1 0.36805500 0.60229100 0.44025000 1.0 O O48 1 0.63194500 0.39770900 0.55975000 1.0 O O49 1 0.91685400 0.10839100 0.82456300 1.0 O O50 1 0.62465600 0.81510800 0.12250700 1.0 O O51 1 0.80971000 0.53067800 0.40258000 1.0 O O52 1 0.12655000 0.48305100 0.43045900 1.0 O O53 1 0.28511400 0.71225900 0.17189100 1.0 O O54 1 0.50728600 0.09211700 0.76775600 1.0 O O55 1 0.08333600 0.83143300 0.03297100 1.0 O O56 1 0.31750400 0.26065300 0.56157000 1.0 O O57 1 0.23812200 0.01529800 0.81323500 1.0 O O58 1 0.43629800 0.84972600 0.95337000 1.0 O O59 1 0.02444900 0.57178600 0.22006400 1.0 O O60 1 0.52444900 0.42821400 0.27993600 1.0 O O61 1 0.93629800 0.15027400 0.54663000 1.0 O O62 1 0.73812200 0.98470200 0.68676500 1.0 O O63 1 0.81750400 0.73934700 0.93843000 1.0 O O64 1 0.00728600 0.90788300 0.73224400 1.0 O O65 1 0.58333600 0.16856700 0.46702900 1.0 O O66 1 0.78511400 0.28774100 0.32810900 1.0 O O67 1 0.62655000 0.51694900 0.06954100 1.0 O O68 1 0.30971000 0.46932200 0.09742000 1.0 O O69 1 0.41685400 0.89160900 0.67543700 1.0 O O70 1 0.12465600 0.18489200 0.37749300 1.0 O O71 1 0.13194500 0.60229100 0.94025000 1.0