# generated using pymatgen data_B3H60C16(NO)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81447500 _cell_length_b 10.81447500 _cell_length_c 10.81447500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B3H60C16(NO)12 _chemical_formula_sum 'B3 H60 C16 N12 O12' _cell_volume 1264.78388366 _cell_formula_units_Z 1 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 B B0 1 0.50000000 0.00000000 0.00000000 1.0 B B1 1 0.00000000 0.50000000 0.00000000 1.0 B B2 1 0.00000000 0.00000000 0.50000000 1.0 H H3 1 0.20996800 0.61103400 0.20996800 1.0 H H4 1 0.20996800 0.20996800 0.61103400 1.0 H H5 1 0.20996800 0.38896600 0.79003200 1.0 H H6 1 0.23134700 0.47921800 0.11444900 1.0 H H7 1 0.23134700 0.88555100 0.52078200 1.0 H H8 1 0.23134700 0.11444900 0.47921800 1.0 H H9 1 0.23134700 0.52078200 0.88555100 1.0 H H10 1 0.47921800 0.23134700 0.11444900 1.0 H H11 1 0.47921800 0.11444900 0.23134700 1.0 H H12 1 0.47921800 0.88555100 0.76865300 1.0 H H13 1 0.47921800 0.76865300 0.88555100 1.0 H H14 1 0.61103400 0.20996800 0.20996800 1.0 H H15 1 0.61103400 0.79003200 0.79003200 1.0 H H16 1 0.72436500 0.84078500 0.00794500 1.0 H H17 1 0.72436500 0.99205500 0.15921500 1.0 H H18 1 0.72436500 0.00794500 0.84078500 1.0 H H19 1 0.72436500 0.15921500 0.99205500 1.0 H H20 1 0.79003200 0.61103400 0.79003200 1.0 H H21 1 0.79003200 0.20996800 0.38896600 1.0 H H22 1 0.79003200 0.38896600 0.20996800 1.0 H H23 1 0.84078500 0.72436500 0.00794500 1.0 H H24 1 0.84078500 0.00794500 0.72436500 1.0 H H25 1 0.84078500 0.99205500 0.27563500 1.0 H H26 1 0.84078500 0.27563500 0.99205500 1.0 H H27 1 0.88555100 0.47921800 0.76865300 1.0 H H28 1 0.88555100 0.76865300 0.47921800 1.0 H H29 1 0.88555100 0.23134700 0.52078200 1.0 H H30 1 0.88555100 0.52078200 0.23134700 1.0 H H31 1 0.99205500 0.72436500 0.15921500 1.0 H H32 1 0.99205500 0.15921500 0.72436500 1.0 H H33 1 0.99205500 0.84078500 0.27563500 1.0 H H34 1 0.99205500 0.27563500 0.84078500 1.0 H H35 1 0.00794500 0.72436500 0.84078500 1.0 H H36 1 0.00794500 0.84078500 0.72436500 1.0 H H37 1 0.00794500 0.15921500 0.27563500 1.0 H H38 1 0.00794500 0.27563500 0.15921500 1.0 H H39 1 0.11444900 0.23134700 0.47921800 1.0 H H40 1 0.11444900 0.47921800 0.23134700 1.0 H H41 1 0.11444900 0.52078200 0.76865300 1.0 H H42 1 0.11444900 0.76865300 0.52078200 1.0 H H43 1 0.15921500 0.72436500 0.99205500 1.0 H H44 1 0.15921500 0.99205500 0.72436500 1.0 H H45 1 0.15921500 0.00794500 0.27563500 1.0 H H46 1 0.15921500 0.27563500 0.00794500 1.0 H H47 1 0.20996800 0.79003200 0.38896600 1.0 H H48 1 0.27563500 0.84078500 0.99205500 1.0 H H49 1 0.27563500 0.99205500 0.84078500 1.0 H H50 1 0.27563500 0.00794500 0.15921500 1.0 H H51 1 0.27563500 0.15921500 0.00794500 1.0 H H52 1 0.38896600 0.20996800 0.79003200 1.0 H H53 1 0.38896600 0.79003200 0.20996800 1.0 H H54 1 0.52078200 0.23134700 0.88555100 1.0 H H55 1 0.52078200 0.88555100 0.23134700 1.0 H H56 1 0.52078200 0.11444900 0.76865300 1.0 H H57 1 0.52078200 0.76865300 0.11444900 1.0 H H58 1 0.76865300 0.47921800 0.88555100 1.0 H H59 1 0.76865300 0.88555100 0.47921800 1.0 H H60 1 0.76865300 0.11444900 0.52078200 1.0 H H61 1 0.76865300 0.52078200 0.11444900 1.0 H H62 1 0.79003200 0.79003200 0.61103400 1.0 C C63 1 0.16118000 0.53620300 0.16118000 1.0 C C64 1 0.16118000 0.16118000 0.53620300 1.0 C C65 1 0.16118000 0.46379700 0.83882000 1.0 C C66 1 0.53620300 0.16118000 0.16118000 1.0 C C67 1 0.53620300 0.83882000 0.83882000 1.0 C C68 1 0.83882000 0.16118000 0.46379700 1.0 C C69 1 0.83882000 0.46379700 0.16118000 1.0 C C70 1 0.83882000 0.53620300 0.83882000 1.0 C C71 1 0.85209200 0.85209200 0.14790800 1.0 C C72 1 0.85209200 0.14790800 0.85209200 1.0 C C73 1 0.14790800 0.85209200 0.85209200 1.0 C C74 1 0.14790800 0.14790800 0.14790800 1.0 C C75 1 0.16118000 0.83882000 0.46379700 1.0 C C76 1 0.46379700 0.16118000 0.83882000 1.0 C C77 1 0.46379700 0.83882000 0.16118000 1.0 C C78 1 0.83882000 0.83882000 0.53620300 1.0 N N79 1 0.80114000 0.80114000 0.04745800 1.0 N N80 1 0.80114000 0.95254200 0.19886000 1.0 N N81 1 0.80114000 0.04745800 0.80114000 1.0 N N82 1 0.80114000 0.19886000 0.95254200 1.0 N N83 1 0.95254200 0.80114000 0.19886000 1.0 N N84 1 0.95254200 0.19886000 0.80114000 1.0 N N85 1 0.04745800 0.80114000 0.80114000 1.0 N N86 1 0.04745800 0.19886000 0.19886000 1.0 N N87 1 0.19886000 0.80114000 0.95254200 1.0 N N88 1 0.19886000 0.95254200 0.80114000 1.0 N N89 1 0.19886000 0.04745800 0.19886000 1.0 N N90 1 0.19886000 0.19886000 0.04745800 1.0 O O91 1 0.07514800 0.58787200 0.07514800 1.0 O O92 1 0.07514800 0.07514800 0.58787200 1.0 O O93 1 0.07514800 0.41212800 0.92485200 1.0 O O94 1 0.58787200 0.07514800 0.07514800 1.0 O O95 1 0.58787200 0.92485200 0.92485200 1.0 O O96 1 0.92485200 0.07514800 0.41212800 1.0 O O97 1 0.92485200 0.41212800 0.07514800 1.0 O O98 1 0.92485200 0.58787200 0.92485200 1.0 O O99 1 0.07514800 0.92485200 0.41212800 1.0 O O100 1 0.41212800 0.07514800 0.92485200 1.0 O O101 1 0.41212800 0.92485200 0.07514800 1.0 O O102 1 0.92485200 0.92485200 0.58787200 1.0