# generated using pymatgen data_Li9Sn3P8O29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.13608466 _cell_length_b 10.13608466 _cell_length_c 14.08968300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000430 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Sn3P8O29 _chemical_formula_sum 'Li18 Sn6 P16 O58' _cell_volume 1253.63842020 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.00000000 0.50000000 1.0 Li Li2 1 0.10132800 0.33058900 0.06209000 1.0 Li Li3 1 0.22926100 0.33058900 0.56209000 1.0 Li Li4 1 0.10132800 0.77073900 0.56209000 1.0 Li Li5 1 0.33333300 0.66666700 0.88123400 1.0 Li Li6 1 0.33333300 0.66666700 0.38123400 1.0 Li Li7 1 0.22926100 0.89867200 0.06209000 1.0 Li Li8 1 0.66941100 0.77073900 0.06209000 1.0 Li Li9 1 0.33058900 0.10132800 0.43791000 1.0 Li Li10 1 0.66941100 0.89867200 0.56209000 1.0 Li Li11 1 0.33058900 0.22926100 0.93791000 1.0 Li Li12 1 0.77073900 0.10132800 0.93791000 1.0 Li Li13 1 0.66666700 0.33333300 0.11876600 1.0 Li Li14 1 0.66666700 0.33333300 0.61876600 1.0 Li Li15 1 0.89867200 0.22926100 0.43791000 1.0 Li Li16 1 0.77073900 0.66941100 0.43791000 1.0 Li Li17 1 0.89867200 0.66941100 0.93791000 1.0 Sn Sn18 1 0.00000000 0.43458700 0.25000000 1.0 Sn Sn19 1 0.00000000 0.56541300 0.75000000 1.0 Sn Sn20 1 0.43458700 0.43458700 0.75000000 1.0 Sn Sn21 1 0.56541300 0.56541300 0.25000000 1.0 Sn Sn22 1 0.43458700 0.00000000 0.25000000 1.0 Sn Sn23 1 0.56541300 0.00000000 0.75000000 1.0 P P24 1 0.08603200 0.30912100 0.84696800 1.0 P P25 1 0.22308900 0.30912100 0.34696800 1.0 P P26 1 0.08603200 0.77691100 0.34696800 1.0 P P27 1 0.33333300 0.66666700 0.61513100 1.0 P P28 1 0.33333300 0.66666700 0.11513100 1.0 P P29 1 0.22308900 0.91396800 0.84696800 1.0 P P30 1 0.30912100 0.08603200 0.65303200 1.0 P P31 1 0.69087900 0.77691100 0.84696800 1.0 P P32 1 0.30912100 0.22308900 0.15303200 1.0 P P33 1 0.69087900 0.91396800 0.34696800 1.0 P P34 1 0.77691100 0.08603200 0.15303200 1.0 P P35 1 0.66666700 0.33333300 0.38486900 1.0 P P36 1 0.66666700 0.33333300 0.88486900 1.0 P P37 1 0.91396800 0.22308900 0.65303200 1.0 P P38 1 0.77691100 0.69087900 0.65303200 1.0 P P39 1 0.91396800 0.69087900 0.15303200 1.0 O O40 1 0.00000000 0.22220400 0.75000000 1.0 O O41 1 0.00953200 0.22836800 0.56824500 1.0 O O42 1 0.06949300 0.30820100 0.34834600 1.0 O O43 1 0.22220400 0.22220400 0.25000000 1.0 O O44 1 0.21883600 0.22836800 0.06824500 1.0 O O45 1 0.23870800 0.30820100 0.84834600 1.0 O O46 1 0.12003200 0.47561200 0.84261100 1.0 O O47 1 0.20125200 0.50910000 0.15320700 1.0 O O48 1 0.12003200 0.64442100 0.34261100 1.0 O O49 1 0.00953200 0.78116400 0.06824500 1.0 O O50 1 0.00000000 0.77779600 0.25000000 1.0 O O51 1 0.06949300 0.76129200 0.84834600 1.0 O O52 1 0.30784800 0.50910000 0.65320700 1.0 O O53 1 0.35557900 0.47561200 0.34261100 1.0 O O54 1 0.20125200 0.69215200 0.65320700 1.0 O O55 1 0.33333300 0.66666700 0.50842200 1.0 O O56 1 0.33333300 0.66666700 0.00842200 1.0 O O57 1 0.30784800 0.79874800 0.15320700 1.0 O O58 1 0.52438800 0.64442100 0.84261100 1.0 O O59 1 0.49090000 0.69215200 0.15320700 1.0 O O60 1 0.23870800 0.93050700 0.34834600 1.0 O O61 1 0.22220400 0.00000000 0.75000000 1.0 O O62 1 0.21883600 0.99046800 0.56824500 1.0 O O63 1 0.22836800 0.00953200 0.93175500 1.0 O O64 1 0.35557900 0.87996800 0.84261100 1.0 O O65 1 0.49090000 0.79874800 0.65320700 1.0 O O66 1 0.30820100 0.06949300 0.15165400 1.0 O O67 1 0.52438800 0.87996800 0.34261100 1.0 O O68 1 0.69179900 0.76129200 0.34834600 1.0 O O69 1 0.22836800 0.21883600 0.43175500 1.0 O O70 1 0.77163200 0.78116400 0.56824500 1.0 O O71 1 0.77779600 0.77779600 0.75000000 1.0 O O72 1 0.30820100 0.23870800 0.65165400 1.0 O O73 1 0.47561200 0.12003200 0.65738900 1.0 O O74 1 0.69179900 0.93050700 0.84834600 1.0 O O75 1 0.50910000 0.20125200 0.34679300 1.0 O O76 1 0.64442100 0.12003200 0.15738900 1.0 O O77 1 0.77163200 0.99046800 0.06824500 1.0 O O78 1 0.78116400 0.00953200 0.43175500 1.0 O O79 1 0.77779600 0.00000000 0.25000000 1.0 O O80 1 0.76129200 0.06949300 0.65165400 1.0 O O81 1 0.50910000 0.30784800 0.84679300 1.0 O O82 1 0.47561200 0.35557900 0.15738900 1.0 O O83 1 0.69215200 0.20125200 0.84679300 1.0 O O84 1 0.66666700 0.33333300 0.49157800 1.0 O O85 1 0.66666700 0.33333300 0.99157800 1.0 O O86 1 0.79874800 0.30784800 0.34679300 1.0 O O87 1 0.64442100 0.52438800 0.65738900 1.0 O O88 1 0.69215200 0.49090000 0.34679300 1.0 O O89 1 0.93050700 0.23870800 0.15165400 1.0 O O90 1 0.99046800 0.21883600 0.93175500 1.0 O O91 1 0.87996800 0.35557900 0.65738900 1.0 O O92 1 0.79874800 0.49090000 0.84679300 1.0 O O93 1 0.87996800 0.52438800 0.15738900 1.0 O O94 1 0.76129200 0.69179900 0.15165400 1.0 O O95 1 0.78116400 0.77163200 0.93175500 1.0 O O96 1 0.93050700 0.69179900 0.65165400 1.0 O O97 1 0.99046800 0.77163200 0.43175500 1.0