# generated using pymatgen data_Li4CoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50135900 _cell_length_b 9.05914400 _cell_length_c 9.32828496 _cell_angle_alpha 89.10582552 _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 802.82669610 _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 0.13412300 0.84853400 0.38737500 1.0 Li Li1 1 0.86587700 0.84853400 0.88737500 1.0 Li Li2 1 0.38092000 0.70147800 0.90958500 1.0 Li Li3 1 0.61908000 0.70147800 0.40958500 1.0 Li Li4 1 0.88559400 0.64811700 0.10790200 1.0 Li Li5 1 0.11440600 0.64811700 0.60790200 1.0 Li Li6 1 0.10246300 0.63933000 0.87001300 1.0 Li Li7 1 0.89753700 0.63933000 0.37001300 1.0 Li Li8 1 0.35107300 0.62839000 0.32901200 1.0 Li Li9 1 0.64892700 0.62839000 0.82901200 1.0 Li Li10 1 0.14157900 0.59841300 0.13928700 1.0 Li Li11 1 0.85842100 0.59841300 0.63928700 1.0 Li Li12 1 0.63340400 0.41033400 0.35865600 1.0 Li Li13 1 0.36659600 0.41033400 0.85865600 1.0 Li Li14 1 0.14059900 0.37712200 0.66238300 1.0 Li Li15 1 0.85940100 0.37712200 0.16238300 1.0 Li Li16 1 0.60179300 0.38159300 0.62907100 1.0 Li Li17 1 0.39820700 0.38159300 0.12907100 1.0 Li Li18 1 0.63187600 0.35033900 0.89974100 1.0 Li Li19 1 0.36812400 0.35033900 0.39974100 1.0 Li Li20 1 0.12949900 0.33180000 0.11038700 1.0 Li Li21 1 0.87050100 0.33180000 0.61038700 1.0 Li Li22 1 0.64121400 0.13697700 0.09817900 1.0 Li Li23 1 0.35878600 0.13697700 0.59817900 1.0 Li Li24 1 0.87753100 0.12973000 0.40167000 1.0 Li Li25 1 0.12246900 0.12973000 0.90167000 1.0 Li Li26 1 0.10014700 0.11033700 0.63736100 1.0 Li Li27 1 0.89985300 0.11033700 0.13736100 1.0 Li Li28 1 0.62980200 0.08433700 0.66468300 1.0 Li Li29 1 0.37019800 0.08433700 0.16468300 1.0 Li Li30 1 0.13069300 0.11406200 0.36403100 1.0 Li Li31 1 0.86930700 0.11406200 0.86403100 1.0 Co Co32 1 0.10923900 0.87409600 0.10950500 1.0 Co Co33 1 0.89076100 0.87409600 0.60950500 1.0 Co Co34 1 0.61894000 0.62377200 0.11278200 1.0 Co Co35 1 0.38106000 0.62377200 0.61278200 1.0 Co Co36 1 0.10170900 0.38843000 0.38428100 1.0 Co Co37 1 0.89829100 0.38843000 0.88428100 1.0 Co Co38 1 0.61043600 0.12916300 0.37967200 1.0 Co Co39 1 0.38956400 0.12916300 0.87967200 1.0 O O40 1 0.00765400 0.98911600 0.49865600 1.0 O O41 1 0.99234600 0.98911600 0.99865600 1.0 O O42 1 0.20874000 0.98287700 0.23109300 1.0 O O43 1 0.79126000 0.98287700 0.73109300 1.0 O O44 1 0.21113600 0.74761500 0.00676100 1.0 O O45 1 0.78886400 0.74761500 0.50676100 1.0 O O46 1 0.02100800 0.74252700 0.23230800 1.0 O O47 1 0.97899200 0.74252700 0.73230800 1.0 O O48 1 0.50805400 0.71286600 0.22935300 1.0 O O49 1 0.49194600 0.71286600 0.72935300 1.0 O O50 1 0.73362000 0.71977500 0.99293200 1.0 O O51 1 0.26638000 0.71977500 0.49293200 1.0 O O52 1 0.74792800 0.53806000 0.23893800 1.0 O O53 1 0.25207200 0.53806000 0.73893800 1.0 O O54 1 0.48941500 0.50853800 0.49235300 1.0 O O55 1 0.51058500 0.50853800 0.99235300 1.0 O O56 1 0.00232700 0.48915700 0.01418200 1.0 O O57 1 0.99767300 0.48915700 0.51418200 1.0 O O58 1 0.24056300 0.45562700 0.25634500 1.0 O O59 1 0.75943700 0.45562700 0.75634500 1.0 O O60 1 0.21158400 0.25505000 0.50290800 1.0 O O61 1 0.78841600 0.25505000 0.00290800 1.0 O O62 1 0.99859400 0.25625500 0.26757300 1.0 O O63 1 0.00140600 0.25625500 0.76757300 1.0 O O64 1 0.50086800 0.24641900 0.26369100 1.0 O O65 1 0.49913200 0.24641900 0.76369100 1.0 O O66 1 0.71580900 0.24999300 0.49549100 1.0 O O67 1 0.28419100 0.24999300 0.99549100 1.0 O O68 1 0.73868500 0.05758000 0.26493600 1.0 O O69 1 0.26131500 0.05758000 0.76493600 1.0 O O70 1 0.49348400 0.03519500 0.00037800 1.0 O O71 1 0.50651600 0.03519500 0.50037800 1.0