# generated using pymatgen data_Y(BH4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82883600 _cell_length_b 10.82883600 _cell_length_c 10.82883600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y(BH4)3 _chemical_formula_sum 'Y8 B24 H96' _cell_volume 1269.82925818 _cell_formula_units_Z 8 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 Y Y0 1 0.78291055 0.71708945 0.28291055 1.0 Y Y1 1 0.71708945 0.21708945 0.28291055 1.0 Y Y2 1 0.28291055 0.71708945 0.21708945 1.0 Y Y3 1 0.21708945 0.21708945 0.21708945 1.0 Y Y4 1 0.21708945 0.28291055 0.71708945 1.0 Y Y5 1 0.28291055 0.78291055 0.71708945 1.0 Y Y6 1 0.78291055 0.78291055 0.78291055 1.0 Y Y7 1 0.71708945 0.28291055 0.78291055 1.0 B B8 1 0.25252447 0.03267274 0.69174249 1.0 B B9 1 0.24747553 0.96732726 0.19174249 1.0 B B10 1 0.25252447 0.46732726 0.19174249 1.0 B B11 1 0.46732726 0.30825751 0.75252447 1.0 B B12 1 0.80825751 0.74747553 0.53267274 1.0 B B13 1 0.03267274 0.80825751 0.75252447 1.0 B B14 1 0.74747553 0.96732726 0.30825751 1.0 B B15 1 0.03267274 0.69174249 0.25252447 1.0 B B16 1 0.75252447 0.46732726 0.30825751 1.0 B B17 1 0.96732726 0.30825751 0.74747553 1.0 B B18 1 0.24747553 0.53267274 0.69174249 1.0 B B19 1 0.53267274 0.80825751 0.74747553 1.0 B B20 1 0.69174249 0.24747553 0.53267274 1.0 B B21 1 0.96732726 0.19174249 0.24747553 1.0 B B22 1 0.19174249 0.25252447 0.46732726 1.0 B B23 1 0.74747553 0.53267274 0.80825751 1.0 B B24 1 0.19174249 0.24747553 0.96732726 1.0 B B25 1 0.53267274 0.69174249 0.24747553 1.0 B B26 1 0.30825751 0.74747553 0.96732726 1.0 B B27 1 0.30825751 0.75252447 0.46732726 1.0 B B28 1 0.69174249 0.25252447 0.03267274 1.0 B B29 1 0.46732726 0.19174249 0.25252447 1.0 B B30 1 0.80825751 0.75252447 0.03267274 1.0 B B31 1 0.75252447 0.03267274 0.80825751 1.0 H H32 1 0.27500583 0.53390998 0.10321739 1.0 H H33 1 0.33709373 0.10683789 0.70103368 1.0 H H34 1 0.91870030 0.32634738 0.84758656 1.0 H H35 1 0.32634738 0.84758656 0.91870030 1.0 H H36 1 0.82634738 0.65241344 0.08129970 1.0 H H37 1 0.74615350 0.52352644 0.21058922 1.0 H H38 1 0.08129970 0.67365262 0.15241344 1.0 H H39 1 0.72499417 0.46609002 0.89678261 1.0 H H40 1 0.72499417 0.03390998 0.39678261 1.0 H H41 1 0.16290627 0.89316211 0.20103368 1.0 H H42 1 0.91870030 0.17365262 0.34758656 1.0 H H43 1 0.70103368 0.16290627 0.60683789 1.0 H H44 1 0.67365262 0.15241344 0.08129970 1.0 H H45 1 0.08129970 0.82634738 0.65241344 1.0 H H46 1 0.41870030 0.32634738 0.65241344 1.0 H H47 1 0.24615350 0.52352644 0.28941078 1.0 H H48 1 0.28941078 0.25384650 0.02352644 1.0 H H49 1 0.10683789 0.70103368 0.33709373 1.0 H H50 1 0.34758656 0.58129970 0.67365262 1.0 H H51 1 0.78941078 0.24615350 0.97647356 1.0 H H52 1 0.28941078 0.24615350 0.52352644 1.0 H H53 1 0.89678261 0.72499417 0.46609002 1.0 H H54 1 0.39678261 0.72499417 0.03390998 1.0 H H55 1 0.79896632 0.83709373 0.10683789 1.0 H H56 1 0.60683789 0.79896632 0.66290627 1.0 H H57 1 0.75384650 0.02352644 0.21058922 1.0 H H58 1 0.47647356 0.78941078 0.25384650 1.0 H H59 1 0.52352644 0.28941078 0.24615350 1.0 H H60 1 0.15241344 0.08129970 0.67365262 1.0 H H61 1 0.16290627 0.60683789 0.70103368 1.0 H H62 1 0.24615350 0.97647356 0.78941078 1.0 H H63 1 0.15241344 0.41870030 0.17365262 1.0 H H64 1 0.53390998 0.39678261 0.77500583 1.0 H H65 1 0.20103368 0.33709373 0.39316211 1.0 H H66 1 0.25384650 0.47647356 0.78941078 1.0 H H67 1 0.70103368 0.33709373 0.10683789 1.0 H H68 1 0.65241344 0.08129970 0.82634738 1.0 H H69 1 0.83709373 0.10683789 0.79896632 1.0 H H70 1 0.96609002 0.89678261 0.77500583 1.0 H H71 1 0.32634738 0.65241344 0.41870030 1.0 H H72 1 0.77500583 0.53390998 0.39678261 1.0 H H73 1 0.75384650 0.47647356 0.71058922 1.0 H H74 1 0.52352644 0.21058922 0.74615350 1.0 H H75 1 0.58129970 0.67365262 0.34758656 1.0 H H76 1 0.66290627 0.89316211 0.29896632 1.0 H H77 1 0.25384650 0.02352644 0.28941078 1.0 H H78 1 0.53390998 0.10321739 0.27500583 1.0 H H79 1 0.46609002 0.89678261 0.72499417 1.0 H H80 1 0.60321739 0.27500583 0.96609002 1.0 H H81 1 0.71058922 0.74615350 0.97647356 1.0 H H82 1 0.89316211 0.20103368 0.16290627 1.0 H H83 1 0.22499417 0.46609002 0.60321739 1.0 H H84 1 0.66290627 0.60683789 0.79896632 1.0 H H85 1 0.03390998 0.10321739 0.22499417 1.0 H H86 1 0.10683789 0.79896632 0.83709373 1.0 H H87 1 0.84758656 0.91870030 0.32634738 1.0 H H88 1 0.60321739 0.22499417 0.46609002 1.0 H H89 1 0.10321739 0.22499417 0.03390998 1.0 H H90 1 0.77500583 0.96609002 0.89678261 1.0 H H91 1 0.71058922 0.75384650 0.47647356 1.0 H H92 1 0.84758656 0.58129970 0.82634738 1.0 H H93 1 0.39316211 0.20103368 0.33709373 1.0 H H94 1 0.79896632 0.66290627 0.60683789 1.0 H H95 1 0.41870030 0.17365262 0.15241344 1.0 H H96 1 0.96609002 0.60321739 0.27500583 1.0 H H97 1 0.02352644 0.28941078 0.25384650 1.0 H H98 1 0.02352644 0.21058922 0.75384650 1.0 H H99 1 0.20103368 0.16290627 0.89316211 1.0 H H100 1 0.39678261 0.77500583 0.53390998 1.0 H H101 1 0.97647356 0.78941078 0.24615350 1.0 H H102 1 0.74615350 0.97647356 0.71058922 1.0 H H103 1 0.65241344 0.41870030 0.32634738 1.0 H H104 1 0.58129970 0.82634738 0.84758656 1.0 H H105 1 0.29896632 0.66290627 0.89316211 1.0 H H106 1 0.10321739 0.27500583 0.53390998 1.0 H H107 1 0.29896632 0.83709373 0.39316211 1.0 H H108 1 0.82634738 0.84758656 0.58129970 1.0 H H109 1 0.78941078 0.25384650 0.47647356 1.0 H H110 1 0.46609002 0.60321739 0.22499417 1.0 H H111 1 0.21058922 0.75384650 0.02352644 1.0 H H112 1 0.97647356 0.71058922 0.74615350 1.0 H H113 1 0.60683789 0.70103368 0.16290627 1.0 H H114 1 0.22499417 0.03390998 0.10321739 1.0 H H115 1 0.21058922 0.74615350 0.52352644 1.0 H H116 1 0.34758656 0.91870030 0.17365262 1.0 H H117 1 0.39316211 0.29896632 0.83709373 1.0 H H118 1 0.89316211 0.29896632 0.66290627 1.0 H H119 1 0.47647356 0.71058922 0.75384650 1.0 H H120 1 0.27500583 0.96609002 0.60321739 1.0 H H121 1 0.83709373 0.39316211 0.29896632 1.0 H H122 1 0.17365262 0.34758656 0.91870030 1.0 H H123 1 0.67365262 0.34758656 0.58129970 1.0 H H124 1 0.89678261 0.77500583 0.96609002 1.0 H H125 1 0.17365262 0.15241344 0.41870030 1.0 H H126 1 0.33709373 0.39316211 0.20103368 1.0 H H127 1 0.03390998 0.39678261 0.72499417 1.0