# generated using pymatgen data_Mn2VO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18591778 _cell_length_b 6.17307586 _cell_length_c 30.86800969 _cell_angle_alpha 60.05971029 _cell_angle_beta 59.91360641 _cell_angle_gamma 59.31812625 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2VO4 _chemical_formula_sum 'Mn20 V10 O40' _cell_volume 828.94002575 _cell_formula_units_Z 10 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 Mn Mn0 1 0.25854300 0.25406400 0.04776800 1.0 Mn Mn1 1 0.14011600 0.62275200 0.12401900 1.0 Mn Mn2 1 0.24771600 0.24713100 0.25136700 1.0 Mn Mn3 1 0.01121600 0.01117200 0.39794700 1.0 Mn Mn4 1 0.62769200 0.13030000 0.12516400 1.0 Mn Mn5 1 0.62590100 0.62139400 0.12455900 1.0 Mn Mn6 1 0.23943200 0.24006800 0.45235900 1.0 Mn Mn7 1 0.62270500 0.61885700 0.22635400 1.0 Mn Mn8 1 0.00696600 0.00689700 0.59822500 1.0 Mn Mn9 1 0.62579100 0.62566300 0.32458600 1.0 Mn Mn10 1 0.00805700 0.00055600 0.80067700 1.0 Mn Mn11 1 0.62420000 0.62427400 0.42473400 1.0 Mn Mn12 1 0.24354500 0.24065400 0.65180100 1.0 Mn Mn13 1 0.62581600 0.62601600 0.52442800 1.0 Mn Mn14 1 0.62433900 0.62475600 0.62483200 1.0 Mn Mn15 1 0.22826400 0.25666800 0.84973100 1.0 Mn Mn16 1 0.62583400 0.62279000 0.72499200 1.0 Mn Mn17 1 0.61784100 0.12660600 0.92615800 1.0 Mn Mn18 1 0.62221300 0.63118200 0.82483200 1.0 Mn Mn19 1 0.61513800 0.62209700 0.92651200 1.0 V V20 1 0.00187200 0.98980000 0.00287600 1.0 V V21 1 0.00557100 0.00204600 0.19994500 1.0 V V22 1 0.63583200 0.61509600 0.02654800 1.0 V V23 1 0.12921300 0.62660400 0.32554800 1.0 V V24 1 0.62705600 0.12844400 0.32555900 1.0 V V25 1 0.12537700 0.62304300 0.52498500 1.0 V V26 1 0.62283500 0.12547600 0.52502400 1.0 V V27 1 0.12291600 0.62533300 0.72520000 1.0 V V28 1 0.62769900 0.12428400 0.72440500 1.0 V V29 1 0.13092900 0.62195100 0.92303900 1.0 O O30 1 0.41437300 0.39850100 0.06915900 1.0 O O31 1 0.40994800 0.84411700 0.06940300 1.0 O O32 1 0.38621600 0.38380600 0.17063900 1.0 O O33 1 0.85106500 0.39484800 0.07125400 1.0 O O34 1 0.37691200 0.37464100 0.28294800 1.0 O O35 1 0.36463600 0.88133300 0.17555700 1.0 O O36 1 0.35796800 0.83335600 0.28151900 1.0 O O37 1 0.88173600 0.87132700 0.07480200 1.0 O O38 1 0.37349500 0.37452400 0.36868300 1.0 O O39 1 0.88612200 0.36100700 0.17538700 1.0 O O40 1 0.83426600 0.35692900 0.28157300 1.0 O O41 1 0.88299700 0.87810900 0.17790200 1.0 O O42 1 0.37381200 0.37298200 0.48141800 1.0 O O43 1 0.42594500 0.89385500 0.36682900 1.0 O O44 1 0.35546500 0.82954000 0.48117700 1.0 O O45 1 0.37277900 0.37411800 0.56869000 1.0 O O46 1 0.89254500 0.89114200 0.27180100 1.0 O O47 1 0.89441000 0.42593700 0.36658700 1.0 O O48 1 0.87721600 0.87807100 0.36790800 1.0 O O49 1 0.82914000 0.35603000 0.48096700 1.0 O O50 1 0.37518900 0.37125400 0.68202600 1.0 O O51 1 0.41902800 0.89615100 0.56812300 1.0 O O52 1 0.35610300 0.82935600 0.68115300 1.0 O O53 1 0.89544000 0.41939300 0.56811300 1.0 O O54 1 0.87908600 0.87785400 0.48082800 1.0 O O55 1 0.37481900 0.37325800 0.76732200 1.0 O O56 1 0.87650500 0.87857600 0.56721500 1.0 O O57 1 0.83227600 0.35357000 0.68089400 1.0 O O58 1 0.34104800 0.40424600 0.87996500 1.0 O O59 1 0.42156700 0.89274200 0.76900700 1.0 O O60 1 0.33690000 0.84503900 0.88119400 1.0 O O61 1 0.89676900 0.41593900 0.76879800 1.0 O O62 1 0.87741800 0.87438800 0.68103100 1.0 O O63 1 0.34218700 0.40850700 0.96731200 1.0 O O64 1 0.88058500 0.87893900 0.76739000 1.0 O O65 1 0.82754800 0.39026600 0.87760200 1.0 O O66 1 0.37017000 0.86339000 0.97977000 1.0 O O67 1 0.88153600 0.36457700 0.97846200 1.0 O O68 1 0.87547700 0.84347700 0.88628400 1.0 O O69 1 0.87867800 0.85892700 0.97913400 1.0