# generated using pymatgen data_Li7NbN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.76322162 _cell_length_b 9.76322162 _cell_length_c 9.76322162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7NbN4 _chemical_formula_sum 'Li56 Nb8 N32' _cell_volume 930.63513129 _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 0.13117256 0.36882744 0.63117256 1.0 Li Li1 1 0.36882744 0.63117256 0.13117256 1.0 Li Li2 1 0.63117256 0.13117256 0.36882744 1.0 Li Li3 1 0.86882744 0.86882744 0.86882744 1.0 Li Li4 1 0.86882744 0.63117256 0.36882744 1.0 Li Li5 1 0.63117256 0.36882744 0.86882744 1.0 Li Li6 1 0.36882744 0.86882744 0.63117256 1.0 Li Li7 1 0.13117256 0.13117256 0.13117256 1.0 Li Li8 1 0.62031991 0.90003531 0.63187019 1.0 Li Li9 1 0.12031991 0.59996469 0.36812981 1.0 Li Li10 1 0.37968009 0.40003531 0.86812981 1.0 Li Li11 1 0.59996469 0.36812981 0.12031991 1.0 Li Li12 1 0.86812981 0.37968009 0.40003531 1.0 Li Li13 1 0.36812981 0.12031991 0.59996469 1.0 Li Li14 1 0.90003531 0.63187019 0.62031991 1.0 Li Li15 1 0.63187019 0.62031991 0.90003531 1.0 Li Li16 1 0.40003531 0.86812981 0.37968009 1.0 Li Li17 1 0.09996469 0.13187019 0.87968009 1.0 Li Li18 1 0.13187019 0.87968009 0.09996469 1.0 Li Li19 1 0.87968009 0.09996469 0.13187019 1.0 Li Li20 1 0.37968009 0.09996469 0.36812981 1.0 Li Li21 1 0.87968009 0.40003531 0.63187019 1.0 Li Li22 1 0.62031991 0.59996469 0.13187019 1.0 Li Li23 1 0.63986098 0.11647184 0.86862554 1.0 Li Li24 1 0.40003531 0.63187019 0.87968009 1.0 Li Li25 1 0.63187019 0.87968009 0.40003531 1.0 Li Li26 1 0.09996469 0.36812981 0.37968009 1.0 Li Li27 1 0.36812981 0.37968009 0.09996469 1.0 Li Li28 1 0.59996469 0.13187019 0.62031991 1.0 Li Li29 1 0.90003531 0.86812981 0.12031991 1.0 Li Li30 1 0.86812981 0.12031991 0.90003531 1.0 Li Li31 1 0.12031991 0.90003531 0.86812981 1.0 Li Li32 1 0.13137446 0.13986098 0.38352816 1.0 Li Li33 1 0.63137446 0.36013902 0.61647184 1.0 Li Li34 1 0.86862554 0.63986098 0.11647184 1.0 Li Li35 1 0.36013902 0.61647184 0.63137446 1.0 Li Li36 1 0.11647184 0.86862554 0.63986098 1.0 Li Li37 1 0.61647184 0.63137446 0.36013902 1.0 Li Li38 1 0.13986098 0.38352816 0.13137446 1.0 Li Li39 1 0.38352816 0.13137446 0.13986098 1.0 Li Li40 1 0.63137446 0.13986098 0.11647184 1.0 Li Li41 1 0.11647184 0.63137446 0.13986098 1.0 Li Li42 1 0.13986098 0.11647184 0.63137446 1.0 Li Li43 1 0.36013902 0.88352816 0.13137446 1.0 Li Li44 1 0.61647184 0.86862554 0.86013902 1.0 Li Li45 1 0.86013902 0.61647184 0.86862554 1.0 Li Li46 1 0.38352816 0.36862554 0.63986098 1.0 Li Li47 1 0.88352816 0.13137446 0.36013902 1.0 Li Li48 1 0.63986098 0.38352816 0.36862554 1.0 Li Li49 1 0.13137446 0.36013902 0.88352816 1.0 Li Li50 1 0.36862554 0.63986098 0.38352816 1.0 Li Li51 1 0.86862554 0.86013902 0.61647184 1.0 Li Li52 1 0.36862554 0.86013902 0.88352816 1.0 Li Li53 1 0.88352816 0.36862554 0.86013902 1.0 Li Li54 1 0.86013902 0.88352816 0.36862554 1.0 Li Li55 1 0.13187019 0.62031991 0.59996469 1.0 Nb Nb56 1 0.37254286 0.12745714 0.87254286 1.0 Nb Nb57 1 0.12745714 0.87254286 0.37254286 1.0 Nb Nb58 1 0.87254286 0.37254286 0.12745714 1.0 Nb Nb59 1 0.62745714 0.62745714 0.62745714 1.0 Nb Nb60 1 0.62745714 0.87254286 0.12745714 1.0 Nb Nb61 1 0.87254286 0.12745714 0.62745714 1.0 Nb Nb62 1 0.12745714 0.62745714 0.87254286 1.0 Nb Nb63 1 0.37254286 0.37254286 0.37254286 1.0 N N64 1 0.25669455 0.24330545 0.75669455 1.0 N N65 1 0.24330545 0.75669455 0.25669455 1.0 N N66 1 0.75669455 0.25669455 0.24330545 1.0 N N67 1 0.74330545 0.74330545 0.74330545 1.0 N N68 1 0.74330545 0.75669455 0.24330545 1.0 N N69 1 0.75669455 0.24330545 0.74330545 1.0 N N70 1 0.24330545 0.74330545 0.75669455 1.0 N N71 1 0.25669455 0.25669455 0.25669455 1.0 N N72 1 0.75469507 0.01278774 0.50899127 1.0 N N73 1 0.25469507 0.48721226 0.49100873 1.0 N N74 1 0.24530493 0.51278774 0.99100873 1.0 N N75 1 0.48721226 0.49100873 0.25469507 1.0 N N76 1 0.99100873 0.24530493 0.51278774 1.0 N N77 1 0.49100873 0.25469507 0.48721226 1.0 N N78 1 0.01278774 0.50899127 0.75469507 1.0 N N79 1 0.50899127 0.75469507 0.01278774 1.0 N N80 1 0.51278774 0.99100873 0.24530493 1.0 N N81 1 0.98721226 0.00899127 0.74530493 1.0 N N82 1 0.00899127 0.74530493 0.98721226 1.0 N N83 1 0.74530493 0.98721226 0.00899127 1.0 N N84 1 0.24530493 0.98721226 0.49100873 1.0 N N85 1 0.74530493 0.51278774 0.50899127 1.0 N N86 1 0.75469507 0.48721226 0.00899127 1.0 N N87 1 0.51278774 0.50899127 0.74530493 1.0 N N88 1 0.00899127 0.75469507 0.48721226 1.0 N N89 1 0.50899127 0.74530493 0.51278774 1.0 N N90 1 0.98721226 0.49100873 0.24530493 1.0 N N91 1 0.49100873 0.24530493 0.98721226 1.0 N N92 1 0.48721226 0.00899127 0.75469507 1.0 N N93 1 0.01278774 0.99100873 0.25469507 1.0 N N94 1 0.99100873 0.25469507 0.01278774 1.0 N N95 1 0.25469507 0.01278774 0.99100873 1.0