# generated using pymatgen data_Li4BH10N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29891833 _cell_length_b 9.29891833 _cell_length_c 9.29891833 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4BH10N3 _chemical_formula_sum 'Li16 B4 H40 N12' _cell_volume 618.97827921 _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 0.53687700 0.75000000 0.28687700 1.0 Li Li1 1 0.25000000 0.21312300 0.96312300 1.0 Li Li2 1 0.28687700 0.53687700 0.75000000 1.0 Li Li3 1 0.96312300 0.25000000 0.21312300 1.0 Li Li4 1 0.75000000 0.28687700 0.53687700 1.0 Li Li5 1 0.21312300 0.96312300 0.25000000 1.0 Li Li6 1 0.77363800 0.75000000 0.52363800 1.0 Li Li7 1 0.25000000 0.97636200 0.72636200 1.0 Li Li8 1 0.52363800 0.77363800 0.75000000 1.0 Li Li9 1 0.72636200 0.25000000 0.97636200 1.0 Li Li10 1 0.75000000 0.52363800 0.77363800 1.0 Li Li11 1 0.97636200 0.72636200 0.25000000 1.0 Li Li12 1 0.96314600 0.50000000 0.00000000 1.0 Li Li13 1 0.00000000 0.96314600 0.50000000 1.0 Li Li14 1 0.50000000 0.00000000 0.96314600 1.0 Li Li15 1 0.53685400 0.53685400 0.53685400 1.0 B B16 1 0.23050100 0.50000000 0.00000000 1.0 B B17 1 0.00000000 0.23050100 0.50000000 1.0 B B18 1 0.50000000 0.00000000 0.23050100 1.0 B B19 1 0.26949900 0.26949900 0.26949900 1.0 H H20 1 0.58590900 0.59120500 0.88904000 1.0 H H21 1 0.69686800 0.61096000 0.20216500 1.0 H H22 1 0.49470400 0.29783500 0.90879500 1.0 H H23 1 0.20216500 0.69686800 0.61096000 1.0 H H24 1 0.90879500 0.49470400 0.29783500 1.0 H H25 1 0.88904000 0.58590900 0.59120500 1.0 H H26 1 0.29783500 0.90879500 0.49470400 1.0 H H27 1 0.59120500 0.88904000 0.58590900 1.0 H H28 1 0.61096000 0.20216500 0.69686800 1.0 H H29 1 0.91409100 0.80313200 0.00529600 1.0 H H30 1 0.80313200 0.00529600 0.91409100 1.0 H H31 1 0.00529600 0.91409100 0.80313200 1.0 H H32 1 0.44235900 0.41433100 0.70054000 1.0 H H33 1 0.74181800 0.79946000 0.21379000 1.0 H H34 1 0.52802800 0.28621000 0.08566900 1.0 H H35 1 0.21379000 0.74181800 0.79946000 1.0 H H36 1 0.08566900 0.52802800 0.28621000 1.0 H H37 1 0.70054000 0.44235900 0.41433100 1.0 H H38 1 0.28621000 0.08566900 0.52802800 1.0 H H39 1 0.41433100 0.70054000 0.44235900 1.0 H H40 1 0.79946000 0.21379000 0.74181800 1.0 H H41 1 0.05764100 0.75818200 0.97197200 1.0 H H42 1 0.75818200 0.97197200 0.05764100 1.0 H H43 1 0.97197200 0.05764100 0.75818200 1.0 H H44 1 0.15635200 0.53066400 0.88678400 1.0 H H45 1 0.26956900 0.61321600 0.14388000 1.0 H H46 1 0.12568900 0.35612000 0.96933600 1.0 H H47 1 0.14388000 0.26956900 0.61321600 1.0 H H48 1 0.96933600 0.12568900 0.35612000 1.0 H H49 1 0.88678400 0.15635200 0.53066400 1.0 H H50 1 0.35612000 0.96933600 0.12568900 1.0 H H51 1 0.53066400 0.88678400 0.15635200 1.0 H H52 1 0.61321600 0.14388000 0.26956900 1.0 H H53 1 0.34364800 0.23043100 0.37431100 1.0 H H54 1 0.23043100 0.37431100 0.34364800 1.0 H H55 1 0.37431100 0.34364800 0.23043100 1.0 H H56 1 0.36284300 0.50000000 0.00000000 1.0 H H57 1 0.00000000 0.36284300 0.50000000 1.0 H H58 1 0.50000000 0.00000000 0.36284300 1.0 H H59 1 0.13715700 0.13715700 0.13715700 1.0 N N60 1 0.52057700 0.54817400 0.75658500 1.0 N N61 1 0.76399200 0.74341500 0.29158900 1.0 N N62 1 0.47240300 0.20841100 0.95182600 1.0 N N63 1 0.29158900 0.76399200 0.74341500 1.0 N N64 1 0.95182600 0.47240300 0.20841100 1.0 N N65 1 0.75658500 0.52057700 0.54817400 1.0 N N66 1 0.20841100 0.95182600 0.47240300 1.0 N N67 1 0.54817400 0.75658500 0.52057700 1.0 N N68 1 0.74341500 0.29158900 0.76399200 1.0 N N69 1 0.97942300 0.73600800 0.02759700 1.0 N N70 1 0.73600800 0.02759700 0.97942300 1.0 N N71 1 0.02759700 0.97942300 0.73600800 1.0