# generated using pymatgen data_Li6V(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.29471400 _cell_length_b 6.55286300 _cell_length_c 7.04817735 _cell_angle_alpha 75.27270965 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6V(BO3)3 _chemical_formula_sum 'Li24 V4 B12 O36' _cell_volume 727.85864134 _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 0.00529000 0.32087800 0.06513000 1.0 Li Li1 1 0.44519200 0.41285900 0.13546900 1.0 Li Li2 1 0.49471000 0.82087800 0.06513000 1.0 Li Li3 1 0.53727600 0.05114600 0.30580200 1.0 Li Li4 1 0.05480800 0.91285900 0.13546900 1.0 Li Li5 1 0.29258400 0.36511900 0.27053500 1.0 Li Li6 1 0.96272400 0.55114600 0.30580200 1.0 Li Li7 1 0.70619300 0.04812100 0.41637800 1.0 Li Li8 1 0.03121000 0.16966500 0.46060000 1.0 Li Li9 1 0.20741600 0.86511900 0.27053500 1.0 Li Li10 1 0.79380700 0.54812100 0.41637800 1.0 Li Li11 1 0.46879000 0.66966500 0.46060000 1.0 Li Li12 1 0.53121000 0.33033500 0.53940000 1.0 Li Li13 1 0.20619300 0.45187900 0.58362200 1.0 Li Li14 1 0.79258400 0.13488100 0.72946500 1.0 Li Li15 1 0.96879000 0.83033500 0.53940000 1.0 Li Li16 1 0.29380700 0.95187900 0.58362200 1.0 Li Li17 1 0.03727600 0.44885400 0.69419800 1.0 Li Li18 1 0.70741600 0.63488100 0.72946500 1.0 Li Li19 1 0.94519200 0.08714100 0.86453100 1.0 Li Li20 1 0.46272400 0.94885400 0.69419800 1.0 Li Li21 1 0.50529000 0.17912200 0.93487000 1.0 Li Li22 1 0.55480800 0.58714100 0.86453100 1.0 Li Li23 1 0.99471000 0.67912200 0.93487000 1.0 V V24 1 0.81675600 0.33228400 0.07777400 1.0 V V25 1 0.68324400 0.83228400 0.07777400 1.0 V V26 1 0.31675600 0.16771600 0.92222600 1.0 V V27 1 0.18324400 0.66771600 0.92222600 1.0 B B28 1 0.63849300 0.34590300 0.08275600 1.0 B B29 1 0.86150700 0.84590300 0.08275600 1.0 B B30 1 0.12481800 0.50075200 0.27781500 1.0 B B31 1 0.88140100 0.18840300 0.43016100 1.0 B B32 1 0.37518200 0.00075200 0.27781500 1.0 B B33 1 0.61859900 0.68840300 0.43016100 1.0 B B34 1 0.38140100 0.31159700 0.56983900 1.0 B B35 1 0.62481800 0.99924800 0.72218500 1.0 B B36 1 0.11859900 0.81159700 0.56983900 1.0 B B37 1 0.87518200 0.49924800 0.72218500 1.0 B B38 1 0.13849300 0.15409700 0.91724400 1.0 B B39 1 0.36150700 0.65409700 0.91724400 1.0 O O40 1 0.33460700 0.44948600 0.99719800 1.0 O O41 1 0.42155900 0.03408600 0.10791500 1.0 O O42 1 0.55487300 0.31427000 0.10536700 1.0 O O43 1 0.69552900 0.18254800 0.12201800 1.0 O O44 1 0.16539300 0.94948600 0.99719800 1.0 O O45 1 0.07844100 0.53408600 0.10791500 1.0 O O46 1 0.29448000 0.06613900 0.24245500 1.0 O O47 1 0.94512700 0.81427000 0.10536700 1.0 O O48 1 0.80447100 0.68254800 0.12201800 1.0 O O49 1 0.92827200 0.26586900 0.26283100 1.0 O O50 1 0.20552000 0.56613900 0.24245500 1.0 O O51 1 0.57172800 0.76586900 0.26283100 1.0 O O52 1 0.79903900 0.23931800 0.40131800 1.0 O O53 1 0.41735700 0.42360800 0.39951000 1.0 O O54 1 0.59173300 0.08107000 0.54026000 1.0 O O55 1 0.09173300 0.41893000 0.45974000 1.0 O O56 1 0.70096100 0.73931800 0.40131800 1.0 O O57 1 0.91735700 0.07639200 0.60049000 1.0 O O58 1 0.08264300 0.92360800 0.39951000 1.0 O O59 1 0.29903900 0.26068200 0.59868200 1.0 O O60 1 0.90826700 0.58107000 0.54026000 1.0 O O61 1 0.40826700 0.91893000 0.45974000 1.0 O O62 1 0.58264300 0.57639200 0.60049000 1.0 O O63 1 0.20096100 0.76068200 0.59868200 1.0 O O64 1 0.42827200 0.23413100 0.73716900 1.0 O O65 1 0.79448000 0.43386100 0.75754500 1.0 O O66 1 0.07172800 0.73413100 0.73716900 1.0 O O67 1 0.19552900 0.31745200 0.87798200 1.0 O O68 1 0.05487300 0.18573000 0.89463300 1.0 O O69 1 0.70552000 0.93386100 0.75754500 1.0 O O70 1 0.92155900 0.46591400 0.89208500 1.0 O O71 1 0.83460700 0.05051400 0.00280200 1.0 O O72 1 0.30447100 0.81745200 0.87798200 1.0 O O73 1 0.44512700 0.68573000 0.89463300 1.0 O O74 1 0.57844100 0.96591400 0.89208500 1.0 O O75 1 0.66539300 0.55051400 0.00280200 1.0