# generated using pymatgen data_Li4CoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.35027300 _cell_length_b 9.14289300 _cell_length_c 9.19730447 _cell_angle_alpha 88.77458249 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4CoO4 _chemical_formula_sum 'Li32 Co8 O32' _cell_volume 786.08435962 _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 0.11681800 0.12865800 0.88812300 1.0 Li Li1 1 0.88318200 0.62865800 0.88812300 1.0 Li Li2 1 0.63101400 0.40300800 0.84426500 1.0 Li Li3 1 0.36898600 0.90300800 0.84426500 1.0 Li Li4 1 0.87945100 0.91607700 0.68095400 1.0 Li Li5 1 0.12054900 0.41607700 0.68095400 1.0 Li Li6 1 0.39122600 0.34742700 0.64161600 1.0 Li Li7 1 0.60877400 0.84742700 0.64161600 1.0 Li Li8 1 0.14955600 0.82416700 0.64400200 1.0 Li Li9 1 0.85044400 0.32416700 0.64400200 1.0 Li Li10 1 0.62010800 0.12948200 0.60065500 1.0 Li Li11 1 0.37989200 0.62948200 0.60065500 1.0 Li Li12 1 0.13020800 0.36394000 0.39948800 1.0 Li Li13 1 0.86979200 0.86394000 0.39948800 1.0 Li Li14 1 0.63311200 0.65685300 0.39393000 1.0 Li Li15 1 0.36688800 0.15685300 0.39393000 1.0 Li Li16 1 0.10192600 0.63016200 0.38356500 1.0 Li Li17 1 0.89807400 0.13016200 0.38356500 1.0 Li Li18 1 0.13303600 0.89729100 0.36049700 1.0 Li Li19 1 0.86696400 0.39729100 0.36049700 1.0 Li Li20 1 0.63483000 0.10208500 0.32927800 1.0 Li Li21 1 0.36517000 0.60208500 0.32927800 1.0 Li Li22 1 0.13198300 0.10787600 0.16953700 1.0 Li Li23 1 0.86801700 0.60787600 0.16953700 1.0 Li Li24 1 0.36708200 0.40102100 0.12025700 1.0 Li Li25 1 0.63291800 0.90102100 0.12025700 1.0 Li Li26 1 0.60382500 0.63747700 0.11119600 1.0 Li Li27 1 0.39617500 0.13747700 0.11119600 1.0 Li Li28 1 0.13579000 0.66246800 0.09461800 1.0 Li Li29 1 0.86421000 0.16246800 0.09461800 1.0 Li Li30 1 0.62984100 0.36559500 0.10810200 1.0 Li Li31 1 0.37015900 0.86559500 0.10810200 1.0 Co Co32 1 0.61105000 0.11314400 0.87264700 1.0 Co Co33 1 0.38895000 0.61314400 0.87264700 1.0 Co Co34 1 0.12536900 0.11790900 0.61390300 1.0 Co Co35 1 0.87463100 0.61790900 0.61390300 1.0 Co Co36 1 0.59879000 0.37838700 0.37954600 1.0 Co Co37 1 0.40121000 0.87838700 0.37954600 1.0 Co Co38 1 0.09778900 0.38343600 0.12449200 1.0 Co Co39 1 0.90221100 0.88343600 0.12449200 1.0 O O40 1 0.50570100 0.50157800 0.99302800 1.0 O O41 1 0.49429900 0.00157800 0.99302800 1.0 O O42 1 0.71154800 0.23367800 0.98328400 1.0 O O43 1 0.28845200 0.73367800 0.98328400 1.0 O O44 1 0.70497200 0.00118800 0.74762200 1.0 O O45 1 0.29502800 0.50118800 0.74762200 1.0 O O46 1 0.53195200 0.24168500 0.74772700 1.0 O O47 1 0.46804800 0.74168500 0.74772700 1.0 O O48 1 0.01815000 0.23175000 0.72483800 1.0 O O49 1 0.98185000 0.73175000 0.72483800 1.0 O O50 1 0.21533800 0.00062400 0.73965100 1.0 O O51 1 0.78466200 0.50062400 0.73965100 1.0 O O52 1 0.24286600 0.24931500 0.52355600 1.0 O O53 1 0.75713400 0.74931500 0.52355600 1.0 O O54 1 0.98762800 0.49534100 0.50158900 1.0 O O55 1 0.01237200 0.99534100 0.50158900 1.0 O O56 1 0.48796300 0.49994300 0.47511000 1.0 O O57 1 0.51203700 0.99994300 0.47511000 1.0 O O58 1 0.73338400 0.25448900 0.46185000 1.0 O O59 1 0.26661600 0.75448900 0.46185000 1.0 O O60 1 0.70915100 0.50015000 0.26054500 1.0 O O61 1 0.29084900 0.00015000 0.26054500 1.0 O O62 1 0.49882300 0.26421400 0.25283500 1.0 O O63 1 0.50117700 0.76421400 0.25283500 1.0 O O64 1 0.99500800 0.26626900 0.25048100 1.0 O O65 1 0.00499200 0.76626900 0.25048100 1.0 O O66 1 0.21083800 0.49774900 0.24164800 1.0 O O67 1 0.78916200 0.99774900 0.24164800 1.0 O O68 1 0.22156100 0.25828600 0.04469700 1.0 O O69 1 0.77843900 0.75828600 0.04469700 1.0 O O70 1 0.99397000 0.51433400 0.03051900 1.0 O O71 1 0.00603000 0.01433400 0.03051900 1.0