# generated using pymatgen data_Na(BH)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.51643196 _cell_length_b 6.99130164 _cell_length_c 9.37723608 _cell_angle_alpha 47.31264112 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na(BH)6 _chemical_formula_sum 'Na4 B24 H24' _cell_volume 506.78829709 _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 Na Na0 1 0.19081445 0.88807343 0.48454352 1.0 Na Na1 1 0.69081445 0.11192657 0.01545648 1.0 Na Na2 1 0.80918555 0.11192657 0.51545648 1.0 Na Na3 1 0.30918555 0.88807343 0.98454352 1.0 B B4 1 0.34739318 0.58984860 0.42646794 1.0 B B5 1 0.84739318 0.41015140 0.07353206 1.0 B B6 1 0.65260682 0.41015140 0.57353206 1.0 B B7 1 0.15260682 0.58984860 0.92646794 1.0 B B8 1 0.52293904 0.20534785 0.72272400 1.0 B B9 1 0.02293904 0.79465215 0.77727600 1.0 B B10 1 0.47706096 0.79465215 0.27727600 1.0 B B11 1 0.97706096 0.20534785 0.22272400 1.0 B B12 1 0.39718361 0.26305787 0.57093096 1.0 B B13 1 0.89718361 0.73694213 0.92906904 1.0 B B14 1 0.60281639 0.73694213 0.42906904 1.0 B B15 1 0.10281639 0.26305787 0.07093096 1.0 B B16 1 0.44219804 0.73533540 0.48867229 1.0 B B17 1 0.94219804 0.26466460 0.01132771 1.0 B B18 1 0.55780196 0.26466460 0.51132771 1.0 B B19 1 0.05780196 0.73533540 0.98867229 1.0 B B20 1 0.39287815 0.40625464 0.67123266 1.0 B B21 1 0.89287815 0.59374536 0.82876734 1.0 B B22 1 0.60712185 0.59374536 0.32876734 1.0 B B23 1 0.10712185 0.40625464 0.17123266 1.0 B B24 1 0.54984839 0.49710985 0.67299698 1.0 B B25 1 0.04984839 0.50289015 0.82700302 1.0 B B26 1 0.45015161 0.50289015 0.32700302 1.0 B B27 1 0.95015161 0.49710985 0.17299698 1.0 H H28 1 0.31708384 0.34222661 0.79215361 1.0 H H29 1 0.81708384 0.65777339 0.70784639 1.0 H H30 1 0.68291616 0.65777339 0.20784639 1.0 H H31 1 0.18291616 0.34222661 0.29215361 1.0 H H32 1 0.58304459 0.49961105 0.79394029 1.0 H H33 1 0.08304459 0.50038895 0.70605971 1.0 H H34 1 0.41695541 0.50038895 0.20605971 1.0 H H35 1 0.91695541 0.49961105 0.29394029 1.0 H H36 1 0.40473395 0.90479649 0.47947844 1.0 H H37 1 0.90473395 0.09520351 0.02052156 1.0 H H38 1 0.59526605 0.09520351 0.52052156 1.0 H H39 1 0.09526605 0.90479649 0.97947844 1.0 H H40 1 0.32440341 0.09492486 0.62259475 1.0 H H41 1 0.82440341 0.90507514 0.87740525 1.0 H H42 1 0.67559659 0.90507514 0.37740525 1.0 H H43 1 0.17559659 0.09492486 0.12259475 1.0 H H44 1 0.23901936 0.65150760 0.37422471 1.0 H H45 1 0.73901936 0.34849240 0.12577529 1.0 H H46 1 0.76098064 0.34849240 0.62577529 1.0 H H47 1 0.26098064 0.65150760 0.87422471 1.0 H H48 1 0.53979662 0.99328241 0.87990640 1.0 H H49 1 0.03979662 0.00671759 0.62009360 1.0 H H50 1 0.46020338 0.00671759 0.12009360 1.0 H H51 1 0.96020338 0.99328241 0.37990640 1.0