# generated using pymatgen data_Hf3(VGa2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38018300 _cell_length_b 13.64395800 _cell_length_c 16.76992800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3(VGa2)2 _chemical_formula_sum 'Hf24 V16 Ga32' _cell_volume 1231.02995183 _cell_formula_units_Z 8 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 Hf Hf0 1 0.25000000 0.35405600 0.46379000 1.0 Hf Hf1 1 0.25000000 0.14594400 0.96379000 1.0 Hf Hf2 1 0.75000000 0.64594400 0.53621000 1.0 Hf Hf3 1 0.75000000 0.85405600 0.03621000 1.0 Hf Hf4 1 0.25000000 0.96870900 0.43434400 1.0 Hf Hf5 1 0.25000000 0.53129100 0.93434400 1.0 Hf Hf6 1 0.75000000 0.03129100 0.56565600 1.0 Hf Hf7 1 0.75000000 0.46870900 0.06565600 1.0 Hf Hf8 1 0.25000000 0.72968100 0.44288300 1.0 Hf Hf9 1 0.25000000 0.77031900 0.94288300 1.0 Hf Hf10 1 0.75000000 0.27031900 0.55711700 1.0 Hf Hf11 1 0.75000000 0.22968100 0.05711700 1.0 Hf Hf12 1 0.25000000 0.97350700 0.67332900 1.0 Hf Hf13 1 0.25000000 0.52649300 0.17332900 1.0 Hf Hf14 1 0.75000000 0.02649300 0.32667100 1.0 Hf Hf15 1 0.75000000 0.47350700 0.82667100 1.0 Hf Hf16 1 0.25000000 0.82069700 0.15162800 1.0 Hf Hf17 1 0.25000000 0.67930300 0.65162800 1.0 Hf Hf18 1 0.75000000 0.17930300 0.84837200 1.0 Hf Hf19 1 0.75000000 0.32069700 0.34837200 1.0 Hf Hf20 1 0.25000000 0.18655900 0.28684500 1.0 Hf Hf21 1 0.25000000 0.31344100 0.78684500 1.0 Hf Hf22 1 0.75000000 0.81344100 0.71315500 1.0 Hf Hf23 1 0.75000000 0.68655900 0.21315500 1.0 V V24 1 0.00934800 0.95994700 0.86938000 1.0 V V25 1 0.49065200 0.54005300 0.36938000 1.0 V V26 1 0.50934800 0.04005300 0.13062000 1.0 V V27 1 0.99065200 0.45994700 0.63062000 1.0 V V28 1 0.99065200 0.04005300 0.13062000 1.0 V V29 1 0.50934800 0.45994700 0.63062000 1.0 V V30 1 0.49065200 0.95994700 0.86938000 1.0 V V31 1 0.00934800 0.54005300 0.36938000 1.0 V V32 1 0.01514700 0.83777500 0.31438900 1.0 V V33 1 0.48485300 0.66222500 0.81438900 1.0 V V34 1 0.51514700 0.16222500 0.68561100 1.0 V V35 1 0.98485300 0.33777500 0.18561100 1.0 V V36 1 0.98485300 0.16222500 0.68561100 1.0 V V37 1 0.51514700 0.33777500 0.18561100 1.0 V V38 1 0.48485300 0.83777500 0.31438900 1.0 V V39 1 0.01514700 0.66222500 0.81438900 1.0 Ga Ga40 1 0.25000000 0.12313800 0.55832000 1.0 Ga Ga41 1 0.25000000 0.37686200 0.05832000 1.0 Ga Ga42 1 0.75000000 0.87686200 0.44168000 1.0 Ga Ga43 1 0.75000000 0.62313800 0.94168000 1.0 Ga Ga44 1 0.25000000 0.94970700 0.01626900 1.0 Ga Ga45 1 0.25000000 0.55029300 0.51626900 1.0 Ga Ga46 1 0.75000000 0.05029300 0.98373100 1.0 Ga Ga47 1 0.75000000 0.44970700 0.48373100 1.0 Ga Ga48 1 0.25000000 0.10920900 0.80594000 1.0 Ga Ga49 1 0.25000000 0.39079100 0.30594000 1.0 Ga Ga50 1 0.75000000 0.89079100 0.19406000 1.0 Ga Ga51 1 0.75000000 0.60920900 0.69406000 1.0 Ga Ga52 1 0.25000000 0.19915200 0.12073400 1.0 Ga Ga53 1 0.25000000 0.30084800 0.62073400 1.0 Ga Ga54 1 0.75000000 0.80084800 0.87926600 1.0 Ga Ga55 1 0.75000000 0.69915200 0.37926600 1.0 Ga Ga56 1 0.25000000 0.82413700 0.78108900 1.0 Ga Ga57 1 0.25000000 0.67586300 0.28108900 1.0 Ga Ga58 1 0.75000000 0.17586300 0.21891100 1.0 Ga Ga59 1 0.75000000 0.32413700 0.71891100 1.0 Ga Ga60 1 0.25000000 0.98818300 0.26094100 1.0 Ga Ga61 1 0.25000000 0.51181700 0.76094100 1.0 Ga Ga62 1 0.75000000 0.01181700 0.73905900 1.0 Ga Ga63 1 0.75000000 0.48818300 0.23905900 1.0 Ga Ga64 1 0.99303800 0.16044800 0.43109000 1.0 Ga Ga65 1 0.50696200 0.33955200 0.93109000 1.0 Ga Ga66 1 0.49303800 0.83955200 0.56891000 1.0 Ga Ga67 1 0.00696200 0.66044800 0.06891000 1.0 Ga Ga68 1 0.00696200 0.83955200 0.56891000 1.0 Ga Ga69 1 0.49303800 0.66044800 0.06891000 1.0 Ga Ga70 1 0.50696200 0.16044800 0.43109000 1.0 Ga Ga71 1 0.99303800 0.33955200 0.93109000 1.0