# generated using pymatgen data_Li2B4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48278628 _cell_length_b 8.48278339 _cell_length_c 8.48270116 _cell_angle_alpha 112.30378925 _cell_angle_beta 112.30376023 _cell_angle_gamma 103.94282900 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2B4O7 _chemical_formula_sum 'Li8 B16 O28' _cell_volume 466.64867876 _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 Li Li0 1 -0.00007742 0.98429105 0.66618572 1.0 Li Li1 1 0.08380707 0.24989249 0.51560260 1.0 Li Li2 1 0.73426681 0.56809491 0.48434329 1.0 Li Li3 1 0.31818090 0.33378493 0.33389706 1.0 Li Li4 1 0.49989063 0.83380240 0.01559930 1.0 Li Li5 1 0.81809253 0.48426805 0.98434619 1.0 Li Li6 1 0.23429047 0.74992099 0.16618872 1.0 Li Li7 1 0.58377921 0.06817776 0.83389454 1.0 B B8 1 0.63288242 0.87933649 0.41717622 1.0 B B9 1 0.96570019 0.88287686 0.25353109 1.0 B B10 1 0.62934018 0.71217195 0.74645789 1.0 B B11 1 0.46216577 0.21569200 0.58282841 1.0 B B12 1 0.13287854 0.71570662 0.75353355 1.0 B B13 1 0.96217575 0.37934007 0.24645663 1.0 B B14 1 0.12933755 0.38288710 0.91717298 1.0 B B15 1 0.46569932 0.21216674 0.08283182 1.0 B B16 1 0.46847033 0.52908231 0.16506056 1.0 B B17 1 0.05341587 0.71847799 0.43939131 1.0 B B18 1 0.27908362 0.61402165 0.56060214 1.0 B B19 1 0.36401305 0.30341703 0.83494170 1.0 B B20 1 0.96848260 0.80342136 0.93939247 1.0 B B21 1 0.86402411 0.02908749 0.06060150 1.0 B B22 1 0.77908725 0.21847576 0.66506199 1.0 B B23 1 0.55342223 0.11401594 0.33494247 1.0 O O24 1 0.61817858 0.70100176 0.35570652 1.0 O O25 1 0.01247531 0.86818600 0.41717670 1.0 O O26 1 0.45101342 0.59529855 0.58282401 1.0 O O27 1 0.34529669 0.26247088 0.64429143 1.0 O O28 1 0.11819838 0.76248705 0.91718260 1.0 O O29 1 0.84530520 0.20102158 0.08282131 1.0 O O30 1 0.95101269 0.36818950 0.85571085 1.0 O O31 1 0.51247940 0.09530192 0.14428804 1.0 O O32 1 0.77145482 0.02473861 0.60915430 1.0 O O33 1 0.91229615 0.02144683 0.24670118 1.0 O O34 1 0.77474579 0.66558981 0.75328621 1.0 O O35 1 0.41558646 0.16228192 0.39084682 1.0 O O36 1 0.27143791 0.66228419 0.74669131 1.0 O O37 1 0.91558755 0.52474546 0.25329591 1.0 O O38 1 0.27474039 0.52144733 0.10915960 1.0 O O39 1 0.41226619 0.16557902 0.89083967 1.0 O O40 1 0.50997017 0.91159458 0.28565024 1.0 O O41 1 0.97431665 0.75996199 0.09836319 1.0 O O42 1 0.66159647 0.87595113 0.90162705 1.0 O O43 1 0.62594765 0.22431472 0.71435878 1.0 O O44 1 0.00996667 0.72433040 0.59837030 1.0 O O45 1 0.12595693 0.41159387 0.40162098 1.0 O O46 1 0.16159352 0.25997630 0.78564005 1.0 O O47 1 0.47432918 0.37595371 0.21436717 1.0 O O48 1 0.49589649 0.49589287 -0.00000012 1.0 O O49 1 0.24589611 0.74589677 0.49999055 1.0 O O50 1 0.99590130 0.99590182 -0.00000992 1.0 O O51 1 0.74589897 0.24590147 0.50000111 1.0