# generated using pymatgen data_Li6MnV3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.25421309 _cell_length_b 10.25421309 _cell_length_c 10.21200849 _cell_angle_alpha 70.36286580 _cell_angle_beta 70.36286580 _cell_angle_gamma 109.28216230 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6MnV3(PO4)6 _chemical_formula_sum 'Li12 Mn2 V6 P12 O48' _cell_volume 825.12969385 _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 0.37534200 0.74992100 0.87525300 1.0 Li Li1 1 0.74992100 0.37534200 0.37525300 1.0 Li Li2 1 0.87592700 0.12407300 0.25000000 1.0 Li Li3 1 0.74882300 0.87328300 0.87639900 1.0 Li Li4 1 0.62524700 0.37475300 0.75000000 1.0 Li Li5 1 0.87328300 0.74882300 0.37639900 1.0 Li Li6 1 0.12671700 0.25117700 0.62360100 1.0 Li Li7 1 0.37475300 0.62524700 0.25000000 1.0 Li Li8 1 0.25117700 0.12671700 0.12360100 1.0 Li Li9 1 0.12407300 0.87592700 0.75000000 1.0 Li Li10 1 0.25007900 0.62465800 0.62474700 1.0 Li Li11 1 0.62465800 0.25007900 0.12474700 1.0 Mn Mn12 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn13 1 0.50000000 0.00000000 0.00000000 1.0 V V14 1 0.50000000 0.00000000 0.50000000 1.0 V V15 1 0.00000000 0.50000000 0.00000000 1.0 V V16 1 0.50000000 0.50000000 0.50000000 1.0 V V17 1 0.00000000 0.00000000 0.00000000 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 0.37451700 0.12638200 0.74839300 1.0 P P21 1 0.25046500 0.37476600 0.87469600 1.0 P P22 1 0.74883100 0.12488700 0.62600700 1.0 P P23 1 0.62523400 0.74953500 0.62530400 1.0 P P24 1 0.12488700 0.74883100 0.12600700 1.0 P P25 1 0.12638200 0.37451700 0.24839300 1.0 P P26 1 0.87361800 0.62548300 0.75160700 1.0 P P27 1 0.37476600 0.25046500 0.37469600 1.0 P P28 1 0.87511300 0.25116900 0.87399300 1.0 P P29 1 0.25116900 0.87511300 0.37399300 1.0 P P30 1 0.74953500 0.62523400 0.12530400 1.0 P P31 1 0.62548300 0.87361800 0.25160700 1.0 O O32 1 0.11435100 0.70596800 0.99547500 1.0 O O33 1 0.50686800 0.30006000 0.60781100 1.0 O O34 1 0.70765400 0.59096300 0.29952200 1.0 O O35 1 0.38413800 0.99526300 0.70625200 1.0 O O36 1 0.20836200 0.50543900 0.88262100 1.0 O O37 1 0.49456100 0.79163800 0.61737900 1.0 O O38 1 0.70596800 0.11435100 0.49547500 1.0 O O39 1 0.60836000 0.99235300 0.80321100 1.0 O O40 1 0.78867600 0.29566000 0.59234000 1.0 O O41 1 0.99235300 0.60836000 0.30321100 1.0 O O42 1 0.38864000 0.38221800 0.90864600 1.0 O O43 1 0.79788800 0.90828600 0.21104200 1.0 O O44 1 0.99526300 0.38413800 0.20625200 1.0 O O45 1 0.61778200 0.61136000 0.59135400 1.0 O O46 1 0.59096300 0.70765400 0.79952200 1.0 O O47 1 0.79934700 0.88944300 0.49452100 1.0 O O48 1 0.40683100 0.11895300 0.88804600 1.0 O O49 1 0.11055700 0.20065300 0.00547900 1.0 O O50 1 0.88662200 0.08884600 0.61808600 1.0 O O51 1 0.29566000 0.78867600 0.09234000 1.0 O O52 1 0.11895300 0.40683100 0.38804600 1.0 O O53 1 0.09171400 0.20211200 0.28895800 1.0 O O54 1 0.69994000 0.49313200 0.89218900 1.0 O O55 1 0.08884600 0.88662200 0.11808600 1.0 O O56 1 0.91115400 0.11337800 0.88191400 1.0 O O57 1 0.30006000 0.50686800 0.10781100 1.0 O O58 1 0.90828600 0.79788800 0.71104200 1.0 O O59 1 0.88104700 0.59316900 0.61195400 1.0 O O60 1 0.70434000 0.21132400 0.90766000 1.0 O O61 1 0.11337800 0.91115400 0.38191400 1.0 O O62 1 0.88944300 0.79934700 0.99452100 1.0 O O63 1 0.59316900 0.88104700 0.11195400 1.0 O O64 1 0.20065300 0.11055700 0.50547900 1.0 O O65 1 0.40903700 0.29234600 0.20047800 1.0 O O66 1 0.38221800 0.38864000 0.40864600 1.0 O O67 1 0.00473700 0.61586200 0.79374800 1.0 O O68 1 0.20211200 0.09171400 0.78895800 1.0 O O69 1 0.61136000 0.61778200 0.09135400 1.0 O O70 1 0.00764700 0.39164000 0.69678900 1.0 O O71 1 0.21132400 0.70434000 0.40766000 1.0 O O72 1 0.39164000 0.00764700 0.19678900 1.0 O O73 1 0.29403200 0.88564900 0.50452500 1.0 O O74 1 0.50543900 0.20836200 0.38262100 1.0 O O75 1 0.79163800 0.49456100 0.11737900 1.0 O O76 1 0.61586200 0.00473700 0.29374800 1.0 O O77 1 0.29234600 0.40903700 0.70047800 1.0 O O78 1 0.49313200 0.69994000 0.39218900 1.0 O O79 1 0.88564900 0.29403200 0.00452500 1.0