# generated using pymatgen data_Li6MnV3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.26447484 _cell_length_b 10.26447484 _cell_length_c 10.26447439 _cell_angle_alpha 109.66044388 _cell_angle_beta 109.66044388 _cell_angle_gamma 109.66044354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6MnV3(PO4)6 _chemical_formula_sum 'Li12 Mn2 V6 P12 O48' _cell_volume 826.62395210 _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 0.37321700 0.12678300 0.25000000 1.0 Li Li1 1 0.62390400 0.25000000 0.87609600 1.0 Li Li2 1 0.25000000 0.87609600 0.62390400 1.0 Li Li3 1 0.12678300 0.25000000 0.37321700 1.0 Li Li4 1 0.75000000 0.62678300 0.87321700 1.0 Li Li5 1 0.87609600 0.62390400 0.25000000 1.0 Li Li6 1 0.12390400 0.37609600 0.75000000 1.0 Li Li7 1 0.25000000 0.37321700 0.12678300 1.0 Li Li8 1 0.87321700 0.75000000 0.62678300 1.0 Li Li9 1 0.75000000 0.12390400 0.37609600 1.0 Li Li10 1 0.37609600 0.75000000 0.12390400 1.0 Li Li11 1 0.62678300 0.87321700 0.75000000 1.0 Mn Mn12 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn13 1 0.50000000 0.50000000 0.50000000 1.0 V V14 1 0.50000000 0.00000000 0.50000000 1.0 V V15 1 0.50000000 0.00000000 0.00000000 1.0 V V16 1 0.00000000 0.50000000 0.00000000 1.0 V V17 1 0.00000000 0.50000000 0.50000000 1.0 V V18 1 0.00000000 0.00000000 0.50000000 1.0 V V19 1 0.50000000 0.50000000 0.00000000 1.0 P P20 1 0.75191100 0.37602700 0.62545600 1.0 P P21 1 0.12397300 0.74808900 0.87454400 1.0 P P22 1 0.37454400 0.24808900 0.62397300 1.0 P P23 1 0.12545600 0.87602700 0.25191100 1.0 P P24 1 0.62397300 0.37454400 0.24808900 1.0 P P25 1 0.25191100 0.12545600 0.87602700 1.0 P P26 1 0.74808900 0.87454400 0.12397300 1.0 P P27 1 0.87454400 0.12397300 0.74808900 1.0 P P28 1 0.37602700 0.62545600 0.75191100 1.0 P P29 1 0.62545600 0.75191100 0.37602700 1.0 P P30 1 0.87602700 0.25191100 0.12545600 1.0 P P31 1 0.24808900 0.62397300 0.37454400 1.0 O O32 1 0.59112100 0.20031500 0.20461600 1.0 O O33 1 0.79538400 0.40887900 0.79968500 1.0 O O34 1 0.88233100 0.39014700 0.09051800 1.0 O O35 1 0.61150500 0.20134200 0.49441900 1.0 O O36 1 0.29865800 0.88849500 0.00558100 1.0 O O37 1 0.29968500 0.90887900 0.29538400 1.0 O O38 1 0.40948200 0.10985300 0.61766900 1.0 O O39 1 0.37968000 0.28723100 0.49250400 1.0 O O40 1 0.50558100 0.38849500 0.79865800 1.0 O O41 1 0.61766900 0.40948200 0.10985300 1.0 O O42 1 0.99250400 0.78723100 0.87968000 1.0 O O43 1 0.10985300 0.61766900 0.40948200 1.0 O O44 1 0.39014700 0.09051800 0.88233100 1.0 O O45 1 0.99441900 0.70134200 0.11150500 1.0 O O46 1 0.12032000 0.00749600 0.21276900 1.0 O O47 1 0.09051800 0.88233100 0.39014700 1.0 O O48 1 0.71276900 0.50749600 0.62032000 1.0 O O49 1 0.09112100 0.70461600 0.70031500 1.0 O O50 1 0.20031500 0.20461600 0.59112100 1.0 O O51 1 0.49250400 0.37968000 0.28723100 1.0 O O52 1 0.29538400 0.29968500 0.90887900 1.0 O O53 1 0.11150500 0.99441900 0.70134200 1.0 O O54 1 0.78723100 0.87968000 0.99250400 1.0 O O55 1 0.79865800 0.50558100 0.38849500 1.0 O O56 1 0.20134200 0.49441900 0.61150500 1.0 O O57 1 0.21276900 0.12032000 0.00749600 1.0 O O58 1 0.88849500 0.00558100 0.29865800 1.0 O O59 1 0.70461600 0.70031500 0.09112100 1.0 O O60 1 0.50749600 0.62032000 0.71276900 1.0 O O61 1 0.79968500 0.79538400 0.40887900 1.0 O O62 1 0.90887900 0.29538400 0.29968500 1.0 O O63 1 0.28723100 0.49250400 0.37968000 1.0 O O64 1 0.90948200 0.11766900 0.60985300 1.0 O O65 1 0.87968000 0.99250400 0.78723100 1.0 O O66 1 0.00558100 0.29865800 0.88849500 1.0 O O67 1 0.60985300 0.90948200 0.11766900 1.0 O O68 1 0.89014700 0.38233100 0.59051800 1.0 O O69 1 0.00749600 0.21276900 0.12032000 1.0 O O70 1 0.38233100 0.59051800 0.89014700 1.0 O O71 1 0.49441900 0.61150500 0.20134200 1.0 O O72 1 0.62032000 0.71276900 0.50749600 1.0 O O73 1 0.59051800 0.89014700 0.38233100 1.0 O O74 1 0.70031500 0.09112100 0.70461600 1.0 O O75 1 0.70134200 0.11150500 0.99441900 1.0 O O76 1 0.38849500 0.79865800 0.50558100 1.0 O O77 1 0.11766900 0.60985300 0.90948200 1.0 O O78 1 0.20461600 0.59112100 0.20031500 1.0 O O79 1 0.40887900 0.79968500 0.79538400 1.0