# generated using pymatgen data_Li3Co2P2(O4F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14880400 _cell_length_b 11.32095400 _cell_length_c 13.03866100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Co2P2(O4F)2 _chemical_formula_sum 'Li12 Co8 P8 O32 F8' _cell_volume 760.01537757 _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 0.52612100 0.81733300 0.50874700 1.0 Li Li1 1 0.52612100 0.31733300 0.99125300 1.0 Li Li2 1 0.47387900 0.31733300 0.49125300 1.0 Li Li3 1 0.47387900 0.81733300 0.00874700 1.0 Li Li4 1 0.04535100 0.17327500 0.48844000 1.0 Li Li5 1 0.04535100 0.67327500 0.01156000 1.0 Li Li6 1 0.01527900 0.89362200 0.61751900 1.0 Li Li7 1 0.01527900 0.39362200 0.88248100 1.0 Li Li8 1 0.98472100 0.89362200 0.11751900 1.0 Li Li9 1 0.98472100 0.39362200 0.38248100 1.0 Li Li10 1 0.95464900 0.17327500 0.98844000 1.0 Li Li11 1 0.95464900 0.67327500 0.51156000 1.0 Co Co12 1 0.53223400 0.83045200 0.23722900 1.0 Co Co13 1 0.53223400 0.33045200 0.26277100 1.0 Co Co14 1 0.46776600 0.33045200 0.76277100 1.0 Co Co15 1 0.46776600 0.83045200 0.73722900 1.0 Co Co16 1 0.03722300 0.16559400 0.76809400 1.0 Co Co17 1 0.03722300 0.66559400 0.73190600 1.0 Co Co18 1 0.96277700 0.66559400 0.23190600 1.0 Co Co19 1 0.96277700 0.16559400 0.26809400 1.0 P P20 1 0.53817900 0.09284000 0.62667800 1.0 P P21 1 0.53817900 0.59284000 0.87332200 1.0 P P22 1 0.46182100 0.59284000 0.37332200 1.0 P P23 1 0.46182100 0.09284000 0.12667800 1.0 P P24 1 0.04544300 0.90800500 0.37532000 1.0 P P25 1 0.04544300 0.40800500 0.12468000 1.0 P P26 1 0.95455700 0.40800500 0.62468000 1.0 P P27 1 0.95455700 0.90800500 0.87532000 1.0 O O28 1 0.66108800 0.37716800 0.63318000 1.0 O O29 1 0.66108800 0.87716800 0.86682000 1.0 O O30 1 0.59826500 0.65133200 0.27809300 1.0 O O31 1 0.59826500 0.15133200 0.22190700 1.0 O O32 1 0.56366700 0.64832000 0.47071600 1.0 O O33 1 0.56366700 0.14832000 0.02928400 1.0 O O34 1 0.52090500 0.95793100 0.12960400 1.0 O O35 1 0.52090500 0.45793100 0.37039600 1.0 O O36 1 0.47909500 0.95793100 0.62960400 1.0 O O37 1 0.47909500 0.45793100 0.87039600 1.0 O O38 1 0.43633300 0.14832000 0.52928400 1.0 O O39 1 0.43633300 0.64832000 0.97071600 1.0 O O40 1 0.40173500 0.65133200 0.77809300 1.0 O O41 1 0.40173500 0.15133200 0.72190700 1.0 O O42 1 0.33891200 0.87716800 0.36682000 1.0 O O43 1 0.33891200 0.37716800 0.13318000 1.0 O O44 1 0.15781000 0.10954100 0.14157100 1.0 O O45 1 0.15781000 0.60954100 0.35842900 1.0 O O46 1 0.09441000 0.35250300 0.71991300 1.0 O O47 1 0.09441000 0.85250300 0.78008700 1.0 O O48 1 0.07389800 0.36182000 0.52548900 1.0 O O49 1 0.07389800 0.86182000 0.97451100 1.0 O O50 1 0.99009500 0.54487400 0.63102700 1.0 O O51 1 0.99009500 0.04487400 0.86897300 1.0 O O52 1 0.00990500 0.04487400 0.36897300 1.0 O O53 1 0.00990500 0.54487400 0.13102700 1.0 O O54 1 0.92610200 0.86182000 0.47451100 1.0 O O55 1 0.92610200 0.36182000 0.02548900 1.0 O O56 1 0.90559000 0.85250300 0.28008700 1.0 O O57 1 0.90559000 0.35250300 0.21991300 1.0 O O58 1 0.84219000 0.10954100 0.64157100 1.0 O O59 1 0.84219000 0.60954100 0.85842900 1.0 F F60 1 0.76245400 0.75960000 0.65740600 1.0 F F61 1 0.75964800 0.75565600 0.11254000 1.0 F F62 1 0.75964800 0.25565600 0.38746000 1.0 F F63 1 0.76245400 0.25960000 0.84259400 1.0 F F64 1 0.23754600 0.75960000 0.15740600 1.0 F F65 1 0.24035200 0.75565600 0.61254000 1.0 F F66 1 0.23754600 0.25960000 0.34259400 1.0 F F67 1 0.24035200 0.25565600 0.88746000 1.0