# generated using pymatgen data_LiV2P2H5O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65278400 _cell_length_b 9.78668300 _cell_length_c 12.30655533 _cell_angle_alpha 52.18124626 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV2P2H5O11 _chemical_formula_sum 'Li4 V8 P8 H20 O44' _cell_volume 918.38888032 _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 0.69934200 0.53250100 0.96758400 1.0 Li Li1 1 0.80065800 0.53250100 0.46758400 1.0 Li Li2 1 0.19934200 0.46749900 0.53241600 1.0 Li Li3 1 0.30065800 0.46749900 0.03241600 1.0 V V4 1 0.73103100 0.28726800 0.90715200 1.0 V V5 1 0.94451500 0.96950500 0.89687400 1.0 V V6 1 0.23103100 0.71273200 0.59284800 1.0 V V7 1 0.44451500 0.03049500 0.60312600 1.0 V V8 1 0.55548500 0.96950500 0.39687400 1.0 V V9 1 0.76896900 0.28726800 0.40715200 1.0 V V10 1 0.05548500 0.03049500 0.10312600 1.0 V V11 1 0.26896900 0.71273200 0.09284800 1.0 P P12 1 0.02993900 0.34975500 0.78989600 1.0 P P13 1 0.17126000 0.82894300 0.79036800 1.0 P P14 1 0.52993900 0.65024500 0.71010400 1.0 P P15 1 0.67126000 0.17105700 0.70963200 1.0 P P16 1 0.32874000 0.82894300 0.29036800 1.0 P P17 1 0.47006100 0.34975500 0.28989600 1.0 P P18 1 0.82874000 0.17105700 0.20963200 1.0 P P19 1 0.97006100 0.65024500 0.21010400 1.0 H H20 1 0.46771700 0.16914800 0.95161000 1.0 H H21 1 0.35669700 0.33849300 0.78520200 1.0 H H22 1 0.20384500 0.04042800 0.92407700 1.0 H H23 1 0.47618200 0.92532100 0.89125700 1.0 H H24 1 0.85669700 0.66150700 0.71479800 1.0 H H25 1 0.91104900 0.80524100 0.72653800 1.0 H H26 1 0.41104900 0.19475900 0.77346200 1.0 H H27 1 0.97618200 0.07467900 0.60874300 1.0 H H28 1 0.70384500 0.95957200 0.57592300 1.0 H H29 1 0.96771700 0.83085200 0.54839000 1.0 H H30 1 0.03228300 0.16914800 0.45161000 1.0 H H31 1 0.29615500 0.04042800 0.42407700 1.0 H H32 1 0.02381800 0.92532100 0.39125700 1.0 H H33 1 0.58895100 0.80524100 0.22653800 1.0 H H34 1 0.08895100 0.19475900 0.27346200 1.0 H H35 1 0.14330300 0.33849300 0.28520200 1.0 H H36 1 0.52381800 0.07467900 0.10874300 1.0 H H37 1 0.79615500 0.95957200 0.07592300 1.0 H H38 1 0.64330300 0.66150700 0.21479800 1.0 H H39 1 0.53228300 0.83085200 0.04839000 1.0 O O40 1 0.10352400 0.26288200 0.93042000 1.0 O O41 1 0.45599500 0.83667900 0.98964400 1.0 O O42 1 0.35498600 0.21302000 0.83079400 1.0 O O43 1 0.22643300 0.69701800 0.94087200 1.0 O O44 1 0.14342900 0.94239500 0.99298000 1.0 O O45 1 0.65698400 0.27586300 0.76463100 1.0 O O46 1 0.62336700 0.51408900 0.83153100 1.0 O O47 1 0.89164300 0.43418200 0.78927700 1.0 O O48 1 0.39164300 0.56581800 0.71072300 1.0 O O49 1 0.12336700 0.48591100 0.66846900 1.0 O O50 1 0.02075600 0.88805900 0.79386900 1.0 O O51 1 0.15698400 0.72413700 0.73536900 1.0 O O52 1 0.76127300 0.00965100 0.79714700 1.0 O O53 1 0.49602600 0.78255800 0.73686600 1.0 O O54 1 0.85498600 0.78698000 0.66920600 1.0 O O55 1 0.99602600 0.21744200 0.76313400 1.0 O O56 1 0.26127300 0.99034900 0.70285300 1.0 O O57 1 0.52075700 0.11194100 0.70613100 1.0 O O58 1 0.60352400 0.73711800 0.56958000 1.0 O O59 1 0.04400500 0.83667900 0.48964400 1.0 O O60 1 0.27356700 0.69701800 0.44087200 1.0 O O61 1 0.35657100 0.94239500 0.49298000 1.0 O O62 1 0.64342900 0.05760500 0.50702000 1.0 O O63 1 0.72643300 0.30298200 0.55912800 1.0 O O64 1 0.95599500 0.16332100 0.51035600 1.0 O O65 1 0.39647600 0.26288200 0.43042000 1.0 O O66 1 0.47924400 0.88805900 0.29386900 1.0 O O67 1 0.73872700 0.00965100 0.29714700 1.0 O O68 1 0.00397400 0.78255800 0.23686600 1.0 O O69 1 0.14501400 0.21302000 0.33079400 1.0 O O70 1 0.50397400 0.21744200 0.26313400 1.0 O O71 1 0.23872700 0.99034900 0.20285300 1.0 O O72 1 0.84301600 0.27586300 0.26463100 1.0 O O73 1 0.97924400 0.11194100 0.20613100 1.0 O O74 1 0.87663300 0.51408900 0.33153100 1.0 O O75 1 0.60835700 0.43418200 0.28927700 1.0 O O76 1 0.10835700 0.56581800 0.21072300 1.0 O O77 1 0.37663300 0.48591100 0.16846900 1.0 O O78 1 0.34301600 0.72413700 0.23536900 1.0 O O79 1 0.85657100 0.05760500 0.00702000 1.0 O O80 1 0.77356700 0.30298200 0.05912800 1.0 O O81 1 0.64501400 0.78698000 0.16920600 1.0 O O82 1 0.54400500 0.16332100 0.01035600 1.0 O O83 1 0.89647600 0.73711800 0.06958000 1.0