# generated using pymatgen data_Li3BN2 _symmetry_space_group_name_H-M P2_1/c _cell_length_a 5.15020000 _cell_length_b 7.08240000 _cell_length_c 6.79080000 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.95600000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 14 _chemical_formula_structural Li3BN2 _chemical_formula_sum 'Li12 B4 N8' _cell_volume 228.08303626 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, -y, -z' 3 '-x, y+1/2, -z+1/2' 4 'x, -y+1/2, z+1/2' 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 4 0.23626553 0.00463605 0.00310332 1.0 Li Li1 4 0.25215704 0.02911443 0.38196501 1.0 Li Li2 4 0.25510213 0.70749646 0.18329045 1.0 B B3 4 0.21830263 0.18169673 0.68029515 1.0 N N4 4 0.02017677 0.71544538 0.37959591 1.0 N N5 4 0.42033922 0.07407886 0.70934579 1.0