# generated using pymatgen data_ZnB8(H2N)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48327200 _cell_length_b 7.48327200 _cell_length_c 11.03328700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnB8(H2N)4 _chemical_formula_sum 'Zn2 B16 H16 N8' _cell_volume 617.85700878 _cell_formula_units_Z 2 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 Zn Zn0 1 0.50000000 0.50000000 0.50000000 1.0 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.33636700 0.50000000 0.03689000 1.0 B B3 1 0.66363300 0.50000000 0.03689000 1.0 B B4 1 0.00000000 0.83636700 0.53689000 1.0 B B5 1 0.00000000 0.16363300 0.53689000 1.0 B B6 1 0.16363300 0.00000000 0.46311000 1.0 B B7 1 0.83636700 0.00000000 0.46311000 1.0 B B8 1 0.50000000 0.66363300 0.96311000 1.0 B B9 1 0.50000000 0.33636700 0.96311000 1.0 B B10 1 0.38309000 0.50000000 0.88160100 1.0 B B11 1 0.61691000 0.50000000 0.88160100 1.0 B B12 1 0.00000000 0.88309000 0.38160100 1.0 B B13 1 0.00000000 0.11691000 0.38160100 1.0 B B14 1 0.11691000 0.00000000 0.61839900 1.0 B B15 1 0.88309000 0.00000000 0.61839900 1.0 B B16 1 0.50000000 0.61691000 0.11839900 1.0 B B17 1 0.50000000 0.38309000 0.11839900 1.0 H H18 1 0.17612100 0.50000000 0.04230200 1.0 H H19 1 0.82387900 0.50000000 0.04230200 1.0 H H20 1 0.00000000 0.67612100 0.54230200 1.0 H H21 1 0.00000000 0.32387900 0.54230200 1.0 H H22 1 0.32387900 0.00000000 0.45769800 1.0 H H23 1 0.67612100 0.00000000 0.45769800 1.0 H H24 1 0.50000000 0.82387900 0.95769800 1.0 H H25 1 0.50000000 0.17612100 0.95769800 1.0 H H26 1 0.28490400 0.50000000 0.79666600 1.0 H H27 1 0.71509600 0.50000000 0.79666600 1.0 H H28 1 0.00000000 0.78490400 0.29666600 1.0 H H29 1 0.00000000 0.21509600 0.29666600 1.0 H H30 1 0.21509600 0.00000000 0.70333400 1.0 H H31 1 0.78490400 0.00000000 0.70333400 1.0 H H32 1 0.50000000 0.71509600 0.20333400 1.0 H H33 1 0.50000000 0.28490400 0.20333400 1.0 N N34 1 0.72004200 0.50000000 0.39387800 1.0 N N35 1 0.27995800 0.50000000 0.39387800 1.0 N N36 1 0.00000000 0.22004200 0.89387800 1.0 N N37 1 0.00000000 0.77995800 0.89387800 1.0 N N38 1 0.77995800 0.00000000 0.10612200 1.0 N N39 1 0.22004200 0.00000000 0.10612200 1.0 N N40 1 0.50000000 0.27995800 0.60612200 1.0 N N41 1 0.50000000 0.72004200 0.60612200 1.0