# generated using pymatgen data_Zr3(VGa2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42632700 _cell_length_b 13.72857400 _cell_length_c 16.93101900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3(VGa2)2 _chemical_formula_sum 'Zr24 V16 Ga32' _cell_volume 1261.28864998 _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 Zr Zr0 1 0.75000000 0.81308100 0.71010800 1.0 Zr Zr1 1 0.75000000 0.46973000 0.06604000 1.0 Zr Zr2 1 0.75000000 0.23072500 0.05915000 1.0 Zr Zr3 1 0.25000000 0.96973000 0.43396000 1.0 Zr Zr4 1 0.25000000 0.14596900 0.96546800 1.0 Zr Zr5 1 0.25000000 0.35403100 0.46546800 1.0 Zr Zr6 1 0.25000000 0.53027000 0.93396000 1.0 Zr Zr7 1 0.75000000 0.64596900 0.53453200 1.0 Zr Zr8 1 0.25000000 0.97256400 0.67346100 1.0 Zr Zr9 1 0.25000000 0.76927500 0.94085000 1.0 Zr Zr10 1 0.75000000 0.02743600 0.32653900 1.0 Zr Zr11 1 0.75000000 0.47256400 0.82653900 1.0 Zr Zr12 1 0.25000000 0.52743600 0.17346100 1.0 Zr Zr13 1 0.75000000 0.32008000 0.34898400 1.0 Zr Zr14 1 0.25000000 0.73072500 0.44085000 1.0 Zr Zr15 1 0.25000000 0.67992000 0.65101600 1.0 Zr Zr16 1 0.75000000 0.85403100 0.03453200 1.0 Zr Zr17 1 0.75000000 0.26927500 0.55915000 1.0 Zr Zr18 1 0.75000000 0.17992000 0.84898400 1.0 Zr Zr19 1 0.25000000 0.82008000 0.15101600 1.0 Zr Zr20 1 0.25000000 0.18691900 0.28989200 1.0 Zr Zr21 1 0.25000000 0.31308100 0.78989200 1.0 Zr Zr22 1 0.75000000 0.03027000 0.56604000 1.0 Zr Zr23 1 0.75000000 0.68691900 0.21010800 1.0 V V24 1 0.99083000 0.04070400 0.12985500 1.0 V V25 1 0.98332300 0.16166900 0.68772500 1.0 V V26 1 0.48332300 0.66166900 0.81227500 1.0 V V27 1 0.98332300 0.33833100 0.18772500 1.0 V V28 1 0.99083000 0.45929600 0.62985500 1.0 V V29 1 0.01667700 0.83833100 0.31227500 1.0 V V30 1 0.51667700 0.33833100 0.18772500 1.0 V V31 1 0.00917000 0.95929600 0.87014500 1.0 V V32 1 0.49083000 0.54070400 0.37014500 1.0 V V33 1 0.01667700 0.66166900 0.81227500 1.0 V V34 1 0.00917000 0.54070400 0.37014500 1.0 V V35 1 0.51667700 0.16166900 0.68772500 1.0 V V36 1 0.50917000 0.04070400 0.12985500 1.0 V V37 1 0.48332300 0.83833100 0.31227500 1.0 V V38 1 0.50917000 0.45929600 0.62985500 1.0 V V39 1 0.49083000 0.95929600 0.87014500 1.0 Ga Ga40 1 0.25000000 0.55112100 0.51556400 1.0 Ga Ga41 1 0.75000000 0.17595000 0.21924200 1.0 Ga Ga42 1 0.00687700 0.65994700 0.06648600 1.0 Ga Ga43 1 0.75000000 0.32405000 0.71924200 1.0 Ga Ga44 1 0.25000000 0.39248100 0.30722500 1.0 Ga Ga45 1 0.25000000 0.10751900 0.80722500 1.0 Ga Ga46 1 0.75000000 0.48894800 0.24144200 1.0 Ga Ga47 1 0.25000000 0.98894800 0.25855800 1.0 Ga Ga48 1 0.99312300 0.15994700 0.43351400 1.0 Ga Ga49 1 0.25000000 0.37519500 0.06046300 1.0 Ga Ga50 1 0.49312300 0.84005300 0.56648600 1.0 Ga Ga51 1 0.25000000 0.30118300 0.62344100 1.0 Ga Ga52 1 0.25000000 0.19881700 0.12344100 1.0 Ga Ga53 1 0.75000000 0.62480500 0.93953700 1.0 Ga Ga54 1 0.50687700 0.15994700 0.43351400 1.0 Ga Ga55 1 0.25000000 0.51105200 0.75855800 1.0 Ga Ga56 1 0.75000000 0.87519500 0.43953700 1.0 Ga Ga57 1 0.25000000 0.67595000 0.28075800 1.0 Ga Ga58 1 0.50687700 0.34005300 0.93351400 1.0 Ga Ga59 1 0.75000000 0.80118300 0.87655900 1.0 Ga Ga60 1 0.49312300 0.65994700 0.06648600 1.0 Ga Ga61 1 0.25000000 0.82405000 0.78075800 1.0 Ga Ga62 1 0.75000000 0.44887900 0.48443600 1.0 Ga Ga63 1 0.75000000 0.01105200 0.74144200 1.0 Ga Ga64 1 0.00687700 0.84005300 0.56648600 1.0 Ga Ga65 1 0.25000000 0.94887900 0.01556400 1.0 Ga Ga66 1 0.75000000 0.05112100 0.98443600 1.0 Ga Ga67 1 0.75000000 0.69881700 0.37655900 1.0 Ga Ga68 1 0.75000000 0.89248100 0.19277500 1.0 Ga Ga69 1 0.99312300 0.34005300 0.93351400 1.0 Ga Ga70 1 0.75000000 0.60751900 0.69277500 1.0 Ga Ga71 1 0.25000000 0.12480500 0.56046300 1.0