# generated using pymatgen data_VFe7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74740700 _cell_length_b 8.75688029 _cell_length_c 12.18995790 _cell_angle_alpha 89.91119987 _cell_angle_beta 89.98810368 _cell_angle_gamma 89.98514097 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe7(PO4)12 _chemical_formula_sum 'V1 Fe7 P12 O48' _cell_volume 933.74955347 _cell_formula_units_Z 1 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 V V0 1 0.53605500 0.74664700 0.61817000 1.0 Fe Fe1 1 0.03724500 0.25043800 0.61932100 1.0 Fe Fe2 1 0.46455700 0.25155400 0.38189400 1.0 Fe Fe3 1 0.96400500 0.24983000 0.11994400 1.0 Fe Fe4 1 0.53509000 0.24894600 0.87948500 1.0 Fe Fe5 1 0.46351800 0.75079500 0.11770500 1.0 Fe Fe6 1 0.03689200 0.75140100 0.87932000 1.0 Fe Fe7 1 0.96545100 0.74812200 0.38054400 1.0 P P8 1 0.75091000 0.03172100 0.50215100 1.0 P P9 1 0.60484900 0.10769100 0.14486500 1.0 P P10 1 0.89529900 0.10932700 0.85501200 1.0 P P11 1 0.39481600 0.39609400 0.64347600 1.0 P P12 1 0.10536900 0.39229100 0.35622000 1.0 P P13 1 0.24974100 0.46488100 0.99998600 1.0 P P14 1 0.74952200 0.53559300 0.00169800 1.0 P P15 1 0.60455100 0.61056000 0.35732300 1.0 P P16 1 0.88930000 0.60687300 0.64343400 1.0 P P17 1 0.39430500 0.89002800 0.85136500 1.0 P P18 1 0.10514000 0.89151000 0.14460600 1.0 P P19 1 0.25334000 0.96267400 0.50121900 1.0 O O20 1 0.35160800 0.06067800 0.42466900 1.0 O O21 1 0.15711000 0.06012300 0.57958200 1.0 O O22 1 0.09424600 0.06711800 0.15045300 1.0 O O23 1 0.41080300 0.06385700 0.84637400 1.0 O O24 1 0.84915000 0.12958700 0.57853900 1.0 O O25 1 0.65026200 0.13651700 0.43272400 1.0 O O26 1 0.55815300 0.16751700 0.03130100 1.0 O O27 1 0.94094300 0.16767700 0.96907800 1.0 O O28 1 0.77206500 0.15093100 0.16946700 1.0 O O29 1 0.72861900 0.15344600 0.83006200 1.0 O O30 1 0.49763600 0.17897300 0.23022900 1.0 O O31 1 0.00593300 0.18244900 0.77218500 1.0 O O32 1 0.99654300 0.31898600 0.27231500 1.0 O O33 1 0.50162900 0.32654300 0.72916900 1.0 O O34 1 0.22602400 0.36316500 0.66622100 1.0 O O35 1 0.27154100 0.34695200 0.33108400 1.0 O O36 1 0.44109500 0.33860500 0.53060300 1.0 O O37 1 0.05731100 0.33269400 0.46957400 1.0 O O38 1 0.15345700 0.36041500 0.07433800 1.0 O O39 1 0.34666900 0.36050000 0.92657000 1.0 O O40 1 0.89703900 0.43196900 0.64965400 1.0 O O41 1 0.59248700 0.43642500 0.35127200 1.0 O O42 1 0.85054100 0.43796500 0.07712000 1.0 O O43 1 0.65098200 0.43829400 0.92444000 1.0 O O44 1 0.34796900 0.56247900 0.07734000 1.0 O O45 1 0.15050900 0.56218100 0.92314600 1.0 O O46 1 0.41766200 0.57482800 0.64927400 1.0 O O47 1 0.09319300 0.56668900 0.34858800 1.0 O O48 1 0.65269300 0.63677100 0.07717500 1.0 O O49 1 0.84471700 0.64188500 0.92801200 1.0 O O50 1 0.93651000 0.66405800 0.53031000 1.0 O O51 1 0.56190700 0.66956400 0.47437100 1.0 O O52 1 0.77006100 0.65364300 0.33095900 1.0 O O53 1 0.71746700 0.65458200 0.66364400 1.0 O O54 1 0.49489400 0.68453100 0.27496000 1.0 O O55 1 0.99213600 0.67821400 0.72975700 1.0 O O56 1 0.99555000 0.82116600 0.22873300 1.0 O O57 1 0.50132500 0.82027100 0.75948100 1.0 O O58 1 0.27252100 0.84895700 0.16906900 1.0 O O59 1 0.22867700 0.84640800 0.82633700 1.0 O O60 1 0.44573200 0.82586100 0.96188000 1.0 O O61 1 0.06036300 0.83328100 0.03057000 1.0 O O62 1 0.35897600 0.85751800 0.57105500 1.0 O O63 1 0.15322600 0.85818800 0.43129200 1.0 O O64 1 0.90697400 0.93426600 0.85042400 1.0 O O65 1 0.59352500 0.93222000 0.14828500 1.0 O O66 1 0.85182200 0.93780100 0.42495400 1.0 O O67 1 0.64979000 0.92628000 0.57562800 1.0