# generated using pymatgen data_Li17(CoO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56836700 _cell_length_b 8.05624900 _cell_length_c 11.43095932 _cell_angle_alpha 89.71308782 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li17(CoO4)3 _chemical_formula_sum 'Li34 Co6 O24' _cell_volume 604.87763264 _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 0.03753100 0.55254200 0.09508200 1.0 Li Li1 1 0.03509300 0.89066300 0.42718900 1.0 Li Li2 1 0.03662500 0.22589400 0.76122800 1.0 Li Li3 1 0.03078800 0.94054100 0.90854700 1.0 Li Li4 1 0.02972500 0.59879100 0.56394000 1.0 Li Li5 1 0.24956200 0.76780700 0.02264700 1.0 Li Li6 1 0.27094800 0.62027600 0.84371100 1.0 Li Li7 1 0.22545000 0.11498500 0.34589700 1.0 Li Li8 1 0.24404000 0.43978600 0.68415400 1.0 Li Li9 1 0.24730500 0.93368800 0.18742500 1.0 Li Li10 1 0.25057000 0.26605400 0.52269000 1.0 Li Li11 1 0.47456300 0.55551000 0.09886700 1.0 Li Li12 1 0.46446600 0.90407500 0.42477800 1.0 Li Li13 1 0.46758300 0.23768900 0.76076600 1.0 Li Li14 1 0.47123900 0.92058600 0.89603400 1.0 Li Li15 1 0.46023900 0.27368700 0.24232900 1.0 Li Li16 1 0.47402000 0.61960700 0.58730900 1.0 Li Li17 1 0.53753100 0.44745800 0.90491800 1.0 Li Li18 1 0.53078800 0.05945900 0.09145300 1.0 Li Li19 1 0.53662500 0.77410600 0.23877200 1.0 Li Li20 1 0.52972500 0.40120900 0.43606000 1.0 Li Li21 1 0.53509300 0.10933700 0.57281100 1.0 Li Li22 1 0.74956200 0.23219300 0.97735300 1.0 Li Li23 1 0.72545000 0.88501500 0.65410300 1.0 Li Li24 1 0.74404000 0.56021400 0.31584600 1.0 Li Li25 1 0.77094800 0.37972400 0.15628900 1.0 Li Li26 1 0.75057000 0.73394600 0.47731000 1.0 Li Li27 1 0.74730500 0.06631200 0.81257500 1.0 Li Li28 1 0.97123900 0.07941400 0.10396600 1.0 Li Li29 1 0.97456300 0.44449000 0.90113300 1.0 Li Li30 1 0.96758300 0.76231100 0.23923400 1.0 Li Li31 1 0.97402000 0.38039300 0.41269100 1.0 Li Li32 1 0.96446600 0.09592500 0.57522200 1.0 Li Li33 1 0.96023900 0.72631300 0.75767100 1.0 Co Co34 1 0.25255900 0.25193400 0.99801100 1.0 Co Co35 1 0.25382200 0.58154600 0.33526800 1.0 Co Co36 1 0.25428700 0.91285300 0.66852000 1.0 Co Co37 1 0.75255900 0.74806600 0.00198900 1.0 Co Co38 1 0.75428700 0.08714700 0.33148000 1.0 Co Co39 1 0.75382200 0.41845400 0.66473200 1.0 O O40 1 0.01484000 0.68491000 0.93049300 1.0 O O41 1 0.00278800 0.99700800 0.26723400 1.0 O O42 1 0.01001000 0.34085400 0.59705800 1.0 O O43 1 0.25441900 0.36217700 0.84234500 1.0 O O44 1 0.25163300 0.00775200 0.01895100 1.0 O O45 1 0.25168400 0.68561600 0.17969100 1.0 O O46 1 0.24625000 0.02215800 0.51009300 1.0 O O47 1 0.26288100 0.34692400 0.36300300 1.0 O O48 1 0.22966700 0.67539900 0.67765500 1.0 O O49 1 0.48868000 0.67945200 0.94632600 1.0 O O50 1 0.48573900 0.01615000 0.26357800 1.0 O O51 1 0.48675700 0.35212400 0.60234300 1.0 O O52 1 0.50278800 0.00299200 0.73276600 1.0 O O53 1 0.51484000 0.31509000 0.06950700 1.0 O O54 1 0.51001000 0.65914600 0.40294200 1.0 O O55 1 0.75163300 0.99224800 0.98104900 1.0 O O56 1 0.76288100 0.65307600 0.63699700 1.0 O O57 1 0.72966700 0.32460100 0.32234500 1.0 O O58 1 0.75441900 0.63782300 0.15765500 1.0 O O59 1 0.74625000 0.97784200 0.48990700 1.0 O O60 1 0.75168400 0.31438400 0.82030900 1.0 O O61 1 0.98868000 0.32054800 0.05367400 1.0 O O62 1 0.98573900 0.98385000 0.73642200 1.0 O O63 1 0.98675700 0.64787600 0.39765700 1.0