# generated using pymatgen data_V3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56171610 _cell_length_b 8.83073071 _cell_length_c 8.92384939 _cell_angle_alpha 89.59128435 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Ni2 _chemical_formula_sum 'V18 Ni12' _cell_volume 359.47283513 _cell_formula_units_Z 6 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 0.24681630 0.31705367 0.67879718 1.0 V V1 1 0.24681630 0.68294633 0.32120282 1.0 V V2 1 0.74605416 0.82334929 0.81771403 1.0 V V3 1 0.74605416 0.17665071 0.18228597 1.0 V V4 1 0.75318370 0.68294633 0.32120282 1.0 V V5 1 0.75318370 0.31705367 0.67879718 1.0 V V6 1 0.25394584 0.17665071 0.18228597 1.0 V V7 1 0.25394584 0.82334929 0.81771403 1.0 V V8 1 0.50000000 0.10796827 0.89642278 1.0 V V9 1 0.50000000 0.89203173 0.10357722 1.0 V V10 1 0.00000000 0.61066227 0.60709763 1.0 V V11 1 0.00000000 0.38933773 0.39290237 1.0 V V12 1 0.00000000 0.53592884 0.87375974 1.0 V V13 1 0.00000000 0.46407116 0.12624026 1.0 V V14 1 0.50000000 0.62631523 0.03624945 1.0 V V15 1 0.50000000 0.37368477 0.96375055 1.0 V V16 1 0.00000000 0.87818601 0.53479413 1.0 V V17 1 0.00000000 0.12181399 0.46520587 1.0 Ni Ni18 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni19 1 0.00000000 -0.00000000 -0.00000000 1.0 Ni Ni20 1 0.50000000 0.76118290 0.56558152 1.0 Ni Ni21 1 0.50000000 0.23881710 0.43441848 1.0 Ni Ni22 1 0.00000000 0.25896398 0.93449595 1.0 Ni Ni23 1 0.00000000 0.74103602 0.06550405 1.0 Ni Ni24 1 0.50000000 0.56687511 0.75721975 1.0 Ni Ni25 1 0.50000000 0.43312489 0.24278025 1.0 Ni Ni26 1 0.00000000 0.93229361 0.25808233 1.0 Ni Ni27 1 0.00000000 0.06770639 0.74191767 1.0 Ni Ni28 1 0.50000000 0.03677069 0.63129792 1.0 Ni Ni29 1 0.50000000 0.96322931 0.36870208 1.0