# generated using pymatgen data_Li3CoN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17144852 _cell_length_b 8.17144852 _cell_length_c 8.17144852 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CoN2 _chemical_formula_sum 'Li24 Co8 N16' _cell_volume 420.02511124 _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 0.51492300 0.47969100 0.25762200 1.0 Li Li1 1 0.77793000 0.02030900 0.53523200 1.0 Li Li2 1 0.72207000 0.25730100 0.24237800 1.0 Li Li3 1 0.98507700 0.24269900 0.96476800 1.0 Li Li4 1 0.53523200 0.77793000 0.02030900 1.0 Li Li5 1 0.25762200 0.51492300 0.47969100 1.0 Li Li6 1 0.96476800 0.98507700 0.24269900 1.0 Li Li7 1 0.24237800 0.72207000 0.25730100 1.0 Li Li8 1 0.25730100 0.24237800 0.72207000 1.0 Li Li9 1 0.24269900 0.96476800 0.98507700 1.0 Li Li10 1 0.47969100 0.25762200 0.51492300 1.0 Li Li11 1 0.02030900 0.53523200 0.77793000 1.0 Li Li12 1 0.48507700 0.52030900 0.74237800 1.0 Li Li13 1 0.22207000 0.97969100 0.46476800 1.0 Li Li14 1 0.27793000 0.74269900 0.75762200 1.0 Li Li15 1 0.01492300 0.75730100 0.03523200 1.0 Li Li16 1 0.46476800 0.22207000 0.97969100 1.0 Li Li17 1 0.74237800 0.48507700 0.52030900 1.0 Li Li18 1 0.03523200 0.01492300 0.75730100 1.0 Li Li19 1 0.75762200 0.27793000 0.74269900 1.0 Li Li20 1 0.74269900 0.75762200 0.27793000 1.0 Li Li21 1 0.75730100 0.03523200 0.01492300 1.0 Li Li22 1 0.52030900 0.74237800 0.48507700 1.0 Li Li23 1 0.97969100 0.46476800 0.22207000 1.0 Co Co24 1 0.22594200 0.22594200 0.22594200 1.0 Co Co25 1 0.00000000 0.27405800 0.50000000 1.0 Co Co26 1 0.50000000 0.00000000 0.27405800 1.0 Co Co27 1 0.27405800 0.50000000 0.00000000 1.0 Co Co28 1 0.77405800 0.77405800 0.77405800 1.0 Co Co29 1 0.00000000 0.72594200 0.50000000 1.0 Co Co30 1 0.50000000 0.00000000 0.72594200 1.0 Co Co31 1 0.72594200 0.50000000 0.00000000 1.0 N N32 1 0.00000000 0.00000000 0.00000000 1.0 N N33 1 0.00000000 0.50000000 0.50000000 1.0 N N34 1 0.50000000 0.00000000 0.50000000 1.0 N N35 1 0.50000000 0.50000000 0.00000000 1.0 N N36 1 0.21669200 0.25000000 0.46669200 1.0 N N37 1 0.28330800 0.75000000 0.03330800 1.0 N N38 1 0.46669200 0.21669200 0.25000000 1.0 N N39 1 0.03330800 0.28330800 0.75000000 1.0 N N40 1 0.75000000 0.03330800 0.28330800 1.0 N N41 1 0.25000000 0.46669200 0.21669200 1.0 N N42 1 0.78330800 0.75000000 0.53330800 1.0 N N43 1 0.71669200 0.25000000 0.96669200 1.0 N N44 1 0.53330800 0.78330800 0.75000000 1.0 N N45 1 0.96669200 0.71669200 0.25000000 1.0 N N46 1 0.25000000 0.96669200 0.71669200 1.0 N N47 1 0.75000000 0.53330800 0.78330800 1.0