# generated using pymatgen data_K3BN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81715500 _cell_length_b 6.50028900 _cell_length_c 9.08009497 _cell_angle_alpha 68.75574664 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3BN2 _chemical_formula_sum 'K12 B4 N8' _cell_volume 485.05171873 _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 K K0 1 0.04318700 0.74733000 0.99169700 1.0 K K1 1 0.54318700 0.25267000 0.50830300 1.0 K K2 1 0.95681300 0.25267000 0.00830300 1.0 K K3 1 0.45681300 0.74733000 0.49169700 1.0 K K4 1 0.46885500 0.76306500 0.88232400 1.0 K K5 1 0.96885500 0.23693500 0.61767600 1.0 K K6 1 0.53114500 0.23693500 0.11767600 1.0 K K7 1 0.03114500 0.76306500 0.38232400 1.0 K K8 1 0.29509900 0.25520300 0.81357800 1.0 K K9 1 0.79509900 0.74479700 0.68642200 1.0 K K10 1 0.70490100 0.74479700 0.18642200 1.0 K K11 1 0.20490100 0.25520300 0.31357800 1.0 B B12 1 0.17674000 0.78846700 0.67846400 1.0 B B13 1 0.67674000 0.21153300 0.82153600 1.0 B B14 1 0.82326000 0.21153300 0.32153600 1.0 B B15 1 0.32326000 0.78846700 0.17846400 1.0 N N16 1 0.09193300 0.60059000 0.72431600 1.0 N N17 1 0.59193300 0.39941000 0.77568400 1.0 N N18 1 0.90806700 0.39941000 0.27568400 1.0 N N19 1 0.40806700 0.60059000 0.22431600 1.0 N N20 1 0.26168200 0.97617800 0.63319100 1.0 N N21 1 0.76168200 0.02382200 0.86680900 1.0 N N22 1 0.73831800 0.02382200 0.36680900 1.0 N N23 1 0.23831800 0.97617800 0.13319100 1.0