# generated using pymatgen data_LiMn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33488400 _cell_length_b 5.78512778 _cell_length_c 12.25832751 _cell_angle_alpha 86.87116899 _cell_angle_beta 79.57211250 _cell_angle_gamma 88.52120159 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn3(BO3)3 _chemical_formula_sum 'Li2 Mn6 B6 O18' _cell_volume 371.47639722 _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 0.57482500 0.18885700 0.51677300 1.0 Li Li1 1 0.23678200 0.85644200 0.18175400 1.0 Mn Mn2 1 0.66411300 0.03528600 0.28482900 1.0 Mn Mn3 1 0.68253600 0.30814200 0.04967800 1.0 Mn Mn4 1 0.99805600 0.36513300 0.62772700 1.0 Mn Mn5 1 0.99935200 0.63675700 0.39290000 1.0 Mn Mn6 1 0.31092600 0.67977700 0.94533900 1.0 Mn Mn7 1 0.33476900 0.95953200 0.71792400 1.0 B B8 1 0.12768400 0.14380300 0.39156300 1.0 B B9 1 0.20242700 0.18560200 0.94245300 1.0 B B10 1 0.46881300 0.46615200 0.72358200 1.0 B B11 1 0.53823100 0.53808400 0.27059600 1.0 B B12 1 0.79592800 0.80475900 0.06248200 1.0 B B13 1 0.87306100 0.86635200 0.60896700 1.0 O O14 1 0.99171000 0.02798400 0.66307200 1.0 O O15 1 0.35022600 0.00460900 0.88989300 1.0 O O16 1 0.38096300 0.13269800 0.40056800 1.0 O O17 1 0.95038700 0.20209600 0.93846900 1.0 O O18 1 0.95600500 0.28572000 0.45929800 1.0 O O19 1 0.36934000 0.33027500 0.65109800 1.0 O O20 1 0.32813500 0.34838900 0.99234000 1.0 O O21 1 0.68390300 0.35248200 0.21927300 1.0 O O22 1 0.71618000 0.45314300 0.73499500 1.0 O O23 1 0.29120200 0.57007500 0.26346100 1.0 O O24 1 0.30240800 0.61397300 0.79032200 1.0 O O25 1 0.67264400 0.64264900 0.01228000 1.0 O O26 1 0.67342100 0.69747200 0.31930600 1.0 O O27 1 0.02846000 0.68254900 0.56215700 1.0 O O28 1 0.04787100 0.79086400 0.06961000 1.0 O O29 1 0.62974000 0.89319800 0.59232500 1.0 O O30 1 0.63366400 0.97991000 0.11615900 1.0 O O31 1 0.03389100 0.00444500 0.31898400 1.0