# generated using pymatgen data_Li3B7O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49012342 _cell_length_b 7.81525086 _cell_length_c 8.51118422 _cell_angle_alpha 92.07662150 _cell_angle_beta 104.94573890 _cell_angle_gamma 99.48793379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3B7O12 _chemical_formula_sum 'Li6 B14 O24' _cell_volume 409.98662575 _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 Li Li0 1 0.78215539 0.20080584 0.97006070 1.0 Li Li1 1 0.21784461 0.79919416 0.02993930 1.0 Li Li2 1 0.48806648 0.92452742 0.69282533 1.0 Li Li3 1 0.51193352 0.07547258 0.30717467 1.0 Li Li4 1 0.01778150 0.30647163 0.68741646 1.0 Li Li5 1 0.98221850 0.69352837 0.31258354 1.0 B B6 1 0.74912437 0.86682889 0.03540433 1.0 B B7 1 0.25087563 0.13317111 0.96459567 1.0 B B8 1 0.78572793 0.86514825 0.50450662 1.0 B B9 1 0.21427207 0.13485175 0.49549338 1.0 B B10 1 0.44355530 0.27564763 0.77715839 1.0 B B11 1 0.55644470 0.72435237 0.22284161 1.0 B B12 1 0.04504898 0.71118507 0.68502112 1.0 B B13 1 0.95495102 0.28881493 0.31497888 1.0 B B14 1 0.38735904 0.57494489 0.71118839 1.0 B B15 1 0.61264096 0.42505511 0.28881161 1.0 B B16 1 0.90677294 0.96554030 0.79791314 1.0 B B17 1 0.09322706 0.03445970 0.20208686 1.0 B B18 1 0.73501392 0.49678542 0.72623703 1.0 B B19 1 0.26498608 0.50321458 0.27376297 1.0 O O20 1 0.06311917 0.46713770 0.29455213 1.0 O O21 1 0.93688083 0.53286230 0.70544787 1.0 O O22 1 0.63905776 0.86468800 0.35637027 1.0 O O23 1 0.36094224 0.13531200 0.64362973 1.0 O O24 1 0.03673155 0.83093513 0.81702156 1.0 O O25 1 0.96326845 0.16906487 0.18297844 1.0 O O26 1 0.05183366 0.13901798 0.85618816 1.0 O O27 1 0.94816634 0.86098202 0.14381184 1.0 O O28 1 0.27328641 0.70679358 0.68886946 1.0 O O29 1 0.72671359 0.29320642 0.31113054 1.0 O O30 1 0.77522913 0.97403901 0.63095352 1.0 O O31 1 0.22477087 0.02596099 0.36904648 1.0 O O32 1 0.94171324 0.76397291 0.52439081 1.0 O O33 1 0.05828676 0.23602709 0.47560919 1.0 O O34 1 0.73785971 0.94461433 0.89193403 1.0 O O35 1 0.26214029 0.05538567 0.10806597 1.0 O O36 1 0.31839177 0.41596579 0.75696950 1.0 O O37 1 0.68160823 0.58403421 0.24303050 1.0 O O38 1 0.44195353 0.20015029 0.93207007 1.0 O O39 1 0.55804647 0.79984971 0.06792993 1.0 O O40 1 0.67427057 0.34248318 0.78778292 1.0 O O41 1 0.32572943 0.65751682 0.21221708 1.0 O O42 1 0.59221380 0.61100943 0.68432901 1.0 O O43 1 0.40778620 0.38899057 0.31567099 1.0