# generated using pymatgen data_B5H4NO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71731600 _cell_length_b 9.37775600 _cell_length_c 11.68681567 _cell_angle_alpha 83.37571419 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B5H4NO10 _chemical_formula_sum 'B20 H16 N4 O40' _cell_volume 840.14126602 _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 B B0 1 0.81086000 0.43469400 0.57350700 1.0 B B1 1 0.31086000 0.56530600 0.92649300 1.0 B B2 1 0.18914000 0.56530600 0.42649300 1.0 B B3 1 0.68914000 0.43469400 0.07350700 1.0 B B4 1 0.01513500 0.24918200 0.54138200 1.0 B B5 1 0.51513500 0.75081800 0.95861800 1.0 B B6 1 0.98486500 0.75081800 0.45861800 1.0 B B7 1 0.48486500 0.24918200 0.04138200 1.0 B B8 1 0.95186400 0.29542700 0.74441400 1.0 B B9 1 0.45186400 0.70457300 0.75558600 1.0 B B10 1 0.04813600 0.70457300 0.25558600 1.0 B B11 1 0.54813600 0.29542700 0.24441400 1.0 B B12 1 0.09453800 0.36810200 0.92147100 1.0 B B13 1 0.59453800 0.63189800 0.57852900 1.0 B B14 1 0.90546200 0.63189800 0.07852900 1.0 B B15 1 0.40546200 0.36810200 0.42147100 1.0 B B16 1 0.88767900 0.17411100 0.94269500 1.0 B B17 1 0.38767900 0.82588900 0.55730500 1.0 B B18 1 0.11232100 0.82588900 0.05730500 1.0 B B19 1 0.61232100 0.17411100 0.44269500 1.0 H H20 1 0.59144400 0.95176900 0.77016200 1.0 H H21 1 0.09144400 0.04823100 0.72983800 1.0 H H22 1 0.40855600 0.04823100 0.22983800 1.0 H H23 1 0.90855600 0.95176900 0.27016200 1.0 H H24 1 0.70371600 0.09675800 0.77060100 1.0 H H25 1 0.20371600 0.90324200 0.72939900 1.0 H H26 1 0.29628400 0.90324200 0.22939900 1.0 H H27 1 0.79628400 0.09675800 0.27060100 1.0 H H28 1 0.84166900 0.06040900 0.09531600 1.0 H H29 1 0.34166900 0.93959100 0.40468400 1.0 H H30 1 0.15833100 0.93959100 0.90468400 1.0 H H31 1 0.65833100 0.06040900 0.59531600 1.0 H H32 1 0.16669500 0.09313200 0.49290600 1.0 H H33 1 0.66669500 0.90686800 0.00709400 1.0 H H34 1 0.83330500 0.90686800 0.50709400 1.0 H H35 1 0.33330500 0.09313200 0.99290600 1.0 N N36 1 0.93895900 0.67611600 0.76422900 1.0 N N37 1 0.43895900 0.32388400 0.73577100 1.0 N N38 1 0.06104100 0.32388400 0.23577100 1.0 N N39 1 0.56104100 0.67611600 0.26422900 1.0 O O40 1 0.70228400 0.54249100 0.52525000 1.0 O O41 1 0.20228400 0.45750900 0.97475000 1.0 O O42 1 0.29771600 0.45750900 0.47475000 1.0 O O43 1 0.79771600 0.54249100 0.02525000 1.0 O O44 1 0.90451000 0.36020900 0.49806400 1.0 O O45 1 0.40451000 0.63979100 0.00193600 1.0 O O46 1 0.09549000 0.63979100 0.50193600 1.0 O O47 1 0.59549000 0.36020900 0.99806400 1.0 O O48 1 0.09400500 0.17530600 0.46249100 1.0 O O49 1 0.59400500 0.82469400 0.03750900 1.0 O O50 1 0.90599500 0.82469400 0.53750900 1.0 O O51 1 0.40599500 0.17530600 0.96249100 1.0 O O52 1 0.82539500 0.39918200 0.68965900 1.0 O O53 1 0.32539500 0.60081800 0.81034100 1.0 O O54 1 0.17460500 0.60081800 0.31034100 1.0 O O55 1 0.67460500 0.39918200 0.18965900 1.0 O O56 1 0.04056000 0.21641100 0.65872200 1.0 O O57 1 0.54056000 0.78358900 0.84127800 1.0 O O58 1 0.95944000 0.78358900 0.34127800 1.0 O O59 1 0.45944000 0.21641100 0.15872200 1.0 O O60 1 0.07847800 0.37763500 0.80394700 1.0 O O61 1 0.57847800 0.62236500 0.69605300 1.0 O O62 1 0.92152200 0.62236500 0.19605300 1.0 O O63 1 0.42152200 0.37763500 0.30394700 1.0 O O64 1 0.85955300 0.18914000 0.82591000 1.0 O O65 1 0.35955300 0.81086000 0.67409000 1.0 O O66 1 0.14044700 0.81086000 0.17409000 1.0 O O67 1 0.64044700 0.18914000 0.32591000 1.0 O O68 1 0.00213100 0.26554600 0.99177700 1.0 O O69 1 0.50213100 0.73445400 0.50822300 1.0 O O70 1 0.99786900 0.73445400 0.00822300 1.0 O O71 1 0.49786900 0.26554600 0.49177700 1.0 O O72 1 0.80586400 0.06702600 0.01084500 1.0 O O73 1 0.30586400 0.93297400 0.48915500 1.0 O O74 1 0.19413600 0.93297400 0.98915500 1.0 O O75 1 0.69413600 0.06702600 0.51084500 1.0 O O76 1 0.61533400 0.04735000 0.72601200 1.0 O O77 1 0.11533400 0.95265000 0.77398800 1.0 O O78 1 0.38466600 0.95265000 0.27398800 1.0 O O79 1 0.88466600 0.04735000 0.22601200 1.0