# generated using pymatgen data_V23Se40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.54052220 _cell_length_b 12.54052220 _cell_length_c 30.69989667 _cell_angle_alpha 76.45556854 _cell_angle_beta 76.45556854 _cell_angle_gamma 15.67739270 _symmetry_Int_Tables_number 1 _chemical_formula_structural V23Se40 _chemical_formula_sum 'V23 Se40' _cell_volume 1267.64637312 _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 0.87662500 0.87662500 0.73558900 1.0 V V1 1 0.62490400 0.62490400 0.77247500 1.0 V V2 1 0.37688900 0.37688900 0.61504100 1.0 V V3 1 0.12338400 0.12338400 0.68568600 1.0 V V4 1 0.25057900 0.25057900 0.65057500 1.0 V V5 1 0.87578700 0.87578700 0.52597700 1.0 V V6 1 0.62394200 0.62394200 0.56640900 1.0 V V7 1 0.87661600 0.87661600 0.31431400 1.0 V V8 1 0.12421300 0.12421300 0.47402300 1.0 V V9 1 0.62311100 0.62311100 0.38495900 1.0 V V10 1 0.37605800 0.37605800 0.43359100 1.0 V V11 1 0.37509600 0.37509600 0.22752500 1.0 V V12 1 0.74942100 0.74942100 0.34942500 1.0 V V13 1 0.12337500 0.12337500 0.26441100 1.0 V V14 1 0.62506900 0.62506900 0.17468000 1.0 V V15 1 0.37257100 0.37257100 0.03496700 1.0 V V16 1 0.87480000 0.87480000 0.12293700 1.0 V V17 1 0.12665400 0.12665400 0.08452500 1.0 V V18 1 0.87334600 0.87334600 0.91547500 1.0 V V19 1 0.12520000 0.12520000 0.87706300 1.0 V V20 1 0.50000000 0.50000000 0.00000000 1.0 V V21 1 0.62742900 0.62742900 0.96503300 1.0 V V22 1 0.37493100 0.37493100 0.82532000 1.0 Se Se23 1 0.06397400 0.06397400 0.82024500 1.0 Se Se24 1 0.31008400 0.31008400 0.77269900 1.0 Se Se25 1 0.19367100 0.19367100 0.73166500 1.0 Se Se26 1 0.94195700 0.94195700 0.78181300 1.0 Se Se27 1 0.68246400 0.68246400 0.63055100 1.0 Se Se28 1 0.55667300 0.55667300 0.72318300 1.0 Se Se29 1 0.42906600 0.42906600 0.68122900 1.0 Se Se30 1 0.81808500 0.81808500 0.67105100 1.0 Se Se31 1 0.94247200 0.94247200 0.57685900 1.0 Se Se32 1 0.18983500 0.18983500 0.52813000 1.0 Se Se33 1 0.30837800 0.30837800 0.56892100 1.0 Se Se34 1 0.07107000 0.07107000 0.62088400 1.0 Se Se35 1 0.81016500 0.81016500 0.47187000 1.0 Se Se36 1 0.44075100 0.44075100 0.48106900 1.0 Se Se37 1 0.69162200 0.69162200 0.43107900 1.0 Se Se38 1 0.55924900 0.55924900 0.51893100 1.0 Se Se39 1 0.18191500 0.18191500 0.32894900 1.0 Se Se40 1 0.92893000 0.92893000 0.37911600 1.0 Se Se41 1 0.31753600 0.31753600 0.36944900 1.0 Se Se42 1 0.05752800 0.05752800 0.42314100 1.0 Se Se43 1 0.80632900 0.80632900 0.26833500 1.0 Se Se44 1 0.57093400 0.57093400 0.31877100 1.0 Se Se45 1 0.44332700 0.44332700 0.27681700 1.0 Se Se46 1 0.68991600 0.68991600 0.22730100 1.0 Se Se47 1 0.05804300 0.05804300 0.21818700 1.0 Se Se48 1 0.31374600 0.31374600 0.16966800 1.0 Se Se49 1 0.93602600 0.93602600 0.17975500 1.0 Se Se50 1 0.19204500 0.19204500 0.13041800 1.0 Se Se51 1 0.56043100 0.56043100 0.12169200 1.0 Se Se52 1 0.80657000 0.80657000 0.07215600 1.0 Se Se53 1 0.44298800 0.44298800 0.08062300 1.0 Se Se54 1 0.67878500 0.67878500 0.03031600 1.0 Se Se55 1 0.06763500 0.06763500 0.02071200 1.0 Se Se56 1 0.32121500 0.32121500 0.96968400 1.0 Se Se57 1 0.19343000 0.19343000 0.92784400 1.0 Se Se58 1 0.93236500 0.93236500 0.97928800 1.0 Se Se59 1 0.55701200 0.55701200 0.91937700 1.0 Se Se60 1 0.80795500 0.80795500 0.86958200 1.0 Se Se61 1 0.43956900 0.43956900 0.87830800 1.0 Se Se62 1 0.68625400 0.68625400 0.83033200 1.0