# generated using pymatgen data_Li7RuN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.76876761 _cell_length_b 9.76876761 _cell_length_c 9.76876761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7RuN4 _chemical_formula_sum 'Li56 Ru8 N32' _cell_volume 932.22197192 _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 -0.00000000 0.00000000 0.50000000 1.0 Li Li1 1 -0.00000000 0.50000000 0.00000000 1.0 Li Li2 1 0.50000000 0.00000000 0.00000000 1.0 Li Li3 1 0.50000000 0.00000000 0.50000000 1.0 Li Li4 1 0.50000000 0.50000000 0.00000000 1.0 Li Li5 1 -0.00000000 0.50000000 0.50000000 1.0 Li Li6 1 -0.00000000 0.50000000 0.25000000 1.0 Li Li7 1 0.50000000 0.75000000 0.00000000 1.0 Li Li8 1 0.25000000 0.00000000 0.50000000 1.0 Li Li9 1 0.50000000 0.25000000 0.00000000 1.0 Li Li10 1 0.75000000 0.00000000 0.50000000 1.0 Li Li11 1 -0.00000000 0.50000000 0.75000000 1.0 Li Li12 1 0.26545471 0.73454529 0.26545471 1.0 Li Li13 1 0.73454529 0.26545471 0.26545471 1.0 Li Li14 1 0.26545471 0.26545471 0.73454529 1.0 Li Li15 1 0.73454529 0.73454529 0.73454529 1.0 Li Li16 1 0.76545471 0.76545471 0.23454529 1.0 Li Li17 1 0.23454529 0.76545471 0.76545471 1.0 Li Li18 1 0.76545471 0.23454529 0.76545471 1.0 Li Li19 1 0.23454529 0.23454529 0.23454529 1.0 Li Li20 1 0.50000000 0.50000000 0.23664548 1.0 Li Li21 1 0.50000000 0.76335452 0.50000000 1.0 Li Li22 1 0.23664548 0.50000000 0.50000000 1.0 Li Li23 1 0.50000000 0.23664548 0.50000000 1.0 Li Li24 1 0.76335452 0.50000000 0.50000000 1.0 Li Li25 1 0.50000000 0.50000000 0.76335452 1.0 Li Li26 1 -0.00000000 0.73664548 0.00000000 1.0 Li Li27 1 -0.00000000 0.00000000 0.26335452 1.0 Li Li28 1 0.73664548 0.00000000 0.00000000 1.0 Li Li29 1 -0.00000000 0.00000000 0.73664548 1.0 Li Li30 1 0.26335452 0.00000000 0.00000000 1.0 Li Li31 1 -0.00000000 0.26335452 0.00000000 1.0 Li Li32 1 0.51692002 0.73818362 0.24802991 1.0 Li Li33 1 0.26181638 0.75197009 0.51692002 1.0 Li Li34 1 0.24802991 0.48307998 0.26181638 1.0 Li Li35 1 0.48307998 0.26181638 0.24802991 1.0 Li Li36 1 0.73818362 0.24802991 0.51692002 1.0 Li Li37 1 0.75197009 0.51692002 0.26181638 1.0 Li Li38 1 0.51692002 0.26181638 0.75197009 1.0 Li Li39 1 0.26181638 0.24802991 0.48307998 1.0 Li Li40 1 0.24802991 0.51692002 0.73818362 1.0 Li Li41 1 0.48307998 0.73818362 0.75197009 1.0 Li Li42 1 0.73818362 0.75197009 0.48307998 1.0 Li Li43 1 0.75197009 0.48307998 0.73818362 1.0 Li Li44 1 0.01692002 0.74802991 0.23818362 1.0 Li Li45 1 0.76181638 0.01692002 0.25197009 1.0 Li Li46 1 0.74802991 0.76181638 0.98307998 1.0 Li Li47 1 0.98307998 0.74802991 0.76181638 1.0 Li Li48 1 0.23818362 0.01692002 0.74802991 1.0 Li Li49 1 0.25197009 0.76181638 0.01692002 1.0 Li Li50 1 0.01692002 0.25197009 0.76181638 1.0 Li Li51 1 0.76181638 0.98307998 0.74802991 1.0 Li Li52 1 0.74802991 0.23818362 0.01692002 1.0 Li Li53 1 0.98307998 0.25197009 0.23818362 1.0 Li Li54 1 0.23818362 0.98307998 0.25197009 1.0 Li Li55 1 0.25197009 0.23818362 0.98307998 1.0 Ru Ru56 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru57 1 -0.00000000 0.00000000 0.00000000 1.0 Ru Ru58 1 0.50000000 0.00000000 0.25000000 1.0 Ru Ru59 1 -0.00000000 0.75000000 0.50000000 1.0 Ru Ru60 1 0.25000000 0.50000000 0.00000000 1.0 Ru Ru61 1 -0.00000000 0.25000000 0.50000000 1.0 Ru Ru62 1 0.75000000 0.50000000 0.00000000 1.0 Ru Ru63 1 0.50000000 0.00000000 0.75000000 1.0 N N64 1 0.38582973 0.61417027 0.38582973 1.0 N N65 1 0.61417027 0.38582973 0.38582973 1.0 N N66 1 0.38582973 0.38582973 0.61417027 1.0 N N67 1 0.61417027 0.61417027 0.61417027 1.0 N N68 1 0.88582973 0.88582973 0.11417027 1.0 N N69 1 0.11417027 0.88582973 0.88582973 1.0 N N70 1 0.88582973 0.11417027 0.88582973 1.0 N N71 1 0.11417027 0.11417027 0.11417027 1.0 N N72 1 0.38662720 0.87859903 0.13829989 1.0 N N73 1 0.12140097 0.86170011 0.38662720 1.0 N N74 1 0.13829989 0.61337280 0.12140097 1.0 N N75 1 0.61337280 0.12140097 0.13829989 1.0 N N76 1 0.87859903 0.13829989 0.38662720 1.0 N N77 1 0.86170011 0.38662720 0.12140097 1.0 N N78 1 0.38662720 0.12140097 0.86170011 1.0 N N79 1 0.12140097 0.13829989 0.61337280 1.0 N N80 1 0.13829989 0.38662720 0.87859903 1.0 N N81 1 0.61337280 0.87859903 0.86170011 1.0 N N82 1 0.87859903 0.86170011 0.61337280 1.0 N N83 1 0.86170011 0.61337280 0.87859903 1.0 N N84 1 0.88662720 0.63829989 0.37859903 1.0 N N85 1 0.62140097 0.88662720 0.36170011 1.0 N N86 1 0.63829989 0.62140097 0.11337280 1.0 N N87 1 0.11337280 0.63829989 0.62140097 1.0 N N88 1 0.37859903 0.88662720 0.63829989 1.0 N N89 1 0.36170011 0.62140097 0.88662720 1.0 N N90 1 0.88662720 0.36170011 0.62140097 1.0 N N91 1 0.62140097 0.11337280 0.63829989 1.0 N N92 1 0.63829989 0.37859903 0.88662720 1.0 N N93 1 0.11337280 0.36170011 0.37859903 1.0 N N94 1 0.37859903 0.11337280 0.36170011 1.0 N N95 1 0.36170011 0.37859903 0.11337280 1.0