# generated using pymatgen data_Li6CoOF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90400675 _cell_length_b 14.76590252 _cell_length_c 5.80740967 _cell_angle_alpha 95.64594920 _cell_angle_beta 89.93172300 _cell_angle_gamma 84.28252726 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6CoOF6 _chemical_formula_sum 'Li12 Co2 O2 F12' _cell_volume 246.56728167 _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 0.00281600 0.99398700 0.49836800 1.0 Li Li1 1 0.00280700 0.99423900 0.99875600 1.0 Li Li2 1 0.85436800 0.29145300 0.57265900 1.0 Li Li3 1 0.85435900 0.29170500 0.07304800 1.0 Li Li4 1 0.28275400 0.43458000 0.35880500 1.0 Li Li5 1 0.28272200 0.43460200 0.85847100 1.0 Li Li6 1 0.57446500 0.85108900 0.71293900 1.0 Li Li7 1 0.57443200 0.85111200 0.21260400 1.0 Li Li8 1 0.71348800 0.57305600 0.64325700 1.0 Li Li9 1 0.71347600 0.57308000 0.14326200 1.0 Li Li10 1 0.14377100 0.71259200 0.42811700 1.0 Li Li11 1 0.14375900 0.71261600 0.92812200 1.0 Co Co12 1 0.42858400 0.14285300 0.28571900 1.0 Co Co13 1 0.42858300 0.14285300 0.78571800 1.0 O O14 1 0.92900000 0.14479700 0.53612400 1.0 O O15 1 0.92805500 0.14092300 0.03533500 1.0 F F16 1 0.50499700 0.98975600 0.74859900 1.0 F F17 1 0.50414300 0.98949000 0.24653300 1.0 F F18 1 0.35307200 0.29629600 0.32480700 1.0 F F19 1 0.35228500 0.29602900 0.82274000 1.0 F F20 1 0.78278800 0.43395100 0.60869600 1.0 F F21 1 0.78285300 0.43382000 0.10849600 1.0 F F22 1 0.07388000 0.85194800 0.46314000 1.0 F F23 1 0.07394900 0.85181900 0.96294500 1.0 F F24 1 0.21349800 0.57337000 0.39324800 1.0 F F25 1 0.21349800 0.57337100 0.89328200 1.0 F F26 1 0.64379800 0.71230500 0.67808500 1.0 F F27 1 0.64379800 0.71230600 0.17812000 1.0