# generated using pymatgen data_Li11Mn12(BO3)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42435100 _cell_length_b 9.74213516 _cell_length_c 9.90262580 _cell_angle_alpha 115.31641425 _cell_angle_beta 110.39067555 _cell_angle_gamma 87.70075545 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li11Mn12(BO3)12 _chemical_formula_sum 'Li11 Mn12 B12 O36' _cell_volume 763.98853096 _cell_formula_units_Z 1 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 0.97081200 0.96822600 0.67205400 1.0 Li Li1 1 0.69651600 0.03165700 0.66129100 1.0 Li Li2 1 0.63730000 0.46565000 0.50336800 1.0 Li Li3 1 0.71068800 0.53234600 0.16599600 1.0 Li Li4 1 0.63743000 0.96641500 0.00536700 1.0 Li Li5 1 0.30385300 0.46435700 0.83724700 1.0 Li Li6 1 0.36234500 0.03515300 0.99634700 1.0 Li Li7 1 0.36245400 0.53344700 0.49479700 1.0 Li Li8 1 0.30300100 0.96596900 0.33853900 1.0 Li Li9 1 0.03047500 0.03243600 0.32978600 1.0 Li Li10 1 0.03003400 0.53370700 0.82876500 1.0 Mn Mn11 1 0.87825000 0.20628600 0.56503900 1.0 Mn Mn12 1 0.79571800 0.29859800 0.26650900 1.0 Mn Mn13 1 0.78731600 0.79568800 0.77180900 1.0 Mn Mn14 1 0.88386200 0.69469000 0.06514700 1.0 Mn Mn15 1 0.54580400 0.20527800 0.89818000 1.0 Mn Mn16 1 0.45551000 0.29435900 0.60148200 1.0 Mn Mn17 1 0.54734500 0.70413700 0.39852100 1.0 Mn Mn18 1 0.45836100 0.79403500 0.10220000 1.0 Mn Mn19 1 0.11532400 0.30107200 0.94208300 1.0 Mn Mn20 1 0.20930500 0.20740400 0.23163600 1.0 Mn Mn21 1 0.21124200 0.70522000 0.73197600 1.0 Mn Mn22 1 0.11645900 0.78620800 0.43122800 1.0 B B23 1 0.88921400 0.12907200 0.97967400 1.0 B B24 1 0.77428300 0.36749300 0.84873900 1.0 B B25 1 0.88785900 0.63498000 0.48647100 1.0 B B26 1 0.77811300 0.86627500 0.35094100 1.0 B B27 1 0.55648100 0.13374000 0.31407000 1.0 B B28 1 0.55752700 0.63137000 0.81633500 1.0 B B29 1 0.44577100 0.36709500 0.18511200 1.0 B B30 1 0.44207300 0.86702600 0.68392500 1.0 B B31 1 0.22154400 0.13229200 0.64956800 1.0 B B32 1 0.11137900 0.36711100 0.51898500 1.0 B B33 1 0.22253900 0.63808300 0.14478500 1.0 B B34 1 0.11117400 0.86752600 0.02001400 1.0 O O35 1 0.87880400 0.01356500 0.83106400 1.0 O O36 1 0.99054900 0.24670800 0.42844600 1.0 O O37 1 0.98958700 0.74741000 0.93080000 1.0 O O38 1 0.89569900 0.36451000 0.79816200 1.0 O O39 1 0.76496500 0.48786400 0.98291700 1.0 O O40 1 0.88284300 0.52071200 0.34467900 1.0 O O41 1 0.65681100 0.24322500 0.75937100 1.0 O O42 1 0.89503300 0.86212100 0.29421700 1.0 O O43 1 0.77018300 0.13439400 0.03531500 1.0 O O44 1 0.77007900 0.64060500 0.54378300 1.0 O O45 1 0.67790100 0.25317300 0.40203200 1.0 O O46 1 0.68103000 0.75083400 0.90949800 1.0 O O47 1 0.78289000 0.98265200 0.49577300 1.0 O O48 1 0.55022400 0.01679100 0.16888500 1.0 O O49 1 0.55099000 0.51827500 0.66955900 1.0 O O50 1 0.65793000 0.74555000 0.26209000 1.0 O O51 1 0.56336900 0.36366800 0.12915100 1.0 O O52 1 0.55926200 0.86391300 0.62792100 1.0 O O53 1 0.43892000 0.13691600 0.37053700 1.0 O O54 1 0.43811500 0.63624300 0.86995600 1.0 O O55 1 0.34440300 0.25133100 0.73689300 1.0 O O56 1 0.45106300 0.48266900 0.33086500 1.0 O O57 1 0.44856600 0.98180500 0.83023800 1.0 O O58 1 0.21484400 0.01446900 0.50466800 1.0 O O59 1 0.32348300 0.24844900 0.09587800 1.0 O O60 1 0.32094300 0.74655700 0.59426700 1.0 O O61 1 0.23053200 0.36358000 0.46508800 1.0 O O62 1 0.22798300 0.86348100 0.96276000 1.0 O O63 1 0.10509700 0.14020000 0.70819600 1.0 O O64 1 0.34827600 0.75327600 0.23804700 1.0 O O65 1 0.11557000 0.48232800 0.66395200 1.0 O O66 1 0.21759900 0.51950600 0.00278400 1.0 O O67 1 0.10082700 0.65379700 0.19759700 1.0 O O68 1 0.01380100 0.24073400 0.06872000 1.0 O O69 1 0.00978200 0.75596700 0.57589000 1.0 O O70 1 0.11725400 0.98269600 0.16529700 1.0