# generated using pymatgen data_Ti2VNi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04610824 _cell_length_b 5.04610824 _cell_length_c 24.86948800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000320 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2VNi9 _chemical_formula_sum 'Ti8 V4 Ni36' _cell_volume 548.41659334 _cell_formula_units_Z 4 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 Ti Ti0 1 0.33333300 0.66666700 0.66673300 1.0 Ti Ti1 1 0.33333300 0.66666700 0.33326700 1.0 Ti Ti2 1 0.00000000 0.00000000 0.91657600 1.0 Ti Ti3 1 0.00000000 0.00000000 0.58354700 1.0 Ti Ti4 1 0.00000000 0.00000000 0.25006000 1.0 Ti Ti5 1 0.00000000 0.00000000 0.08342400 1.0 Ti Ti6 1 0.00000000 0.00000000 0.74994000 1.0 Ti Ti7 1 0.00000000 0.00000000 0.41645300 1.0 V V8 1 0.66666700 0.33333300 0.83318500 1.0 V V9 1 0.66666700 0.33333300 0.50000000 1.0 V V10 1 0.66666700 0.33333300 0.16681500 1.0 V V11 1 0.33333300 0.66666700 0.00000000 1.0 Ni Ni12 1 0.17051600 0.82948400 0.83341500 1.0 Ni Ni13 1 0.17044500 0.82955500 0.50000000 1.0 Ni Ni14 1 0.17051600 0.82948400 0.16658500 1.0 Ni Ni15 1 0.17051600 0.34103300 0.83341500 1.0 Ni Ni16 1 0.17044500 0.34089000 0.50000000 1.0 Ni Ni17 1 0.17051600 0.34103300 0.16658500 1.0 Ni Ni18 1 0.65896700 0.82948400 0.83341500 1.0 Ni Ni19 1 0.65911000 0.82955500 0.50000000 1.0 Ni Ni20 1 0.65896700 0.82948400 0.16658500 1.0 Ni Ni21 1 0.82968400 0.17031600 0.00000000 1.0 Ni Ni22 1 0.82946500 0.17053500 0.66667600 1.0 Ni Ni23 1 0.82946500 0.17053500 0.33332400 1.0 Ni Ni24 1 0.82968400 0.65936800 0.00000000 1.0 Ni Ni25 1 0.82946500 0.65893000 0.66667600 1.0 Ni Ni26 1 0.82946500 0.65893000 0.33332400 1.0 Ni Ni27 1 0.34063200 0.17031600 0.00000000 1.0 Ni Ni28 1 0.34107000 0.17053500 0.66667600 1.0 Ni Ni29 1 0.34107000 0.17053500 0.33332400 1.0 Ni Ni30 1 0.99930300 0.49965100 0.91652900 1.0 Ni Ni31 1 0.99806300 0.49903200 0.58287400 1.0 Ni Ni32 1 0.99771900 0.49885900 0.24946400 1.0 Ni Ni33 1 0.50034900 0.49965100 0.91652900 1.0 Ni Ni34 1 0.50096800 0.49903200 0.58287400 1.0 Ni Ni35 1 0.50114100 0.49885900 0.24946400 1.0 Ni Ni36 1 0.50034900 0.00069700 0.91652900 1.0 Ni Ni37 1 0.50096800 0.00193700 0.58287400 1.0 Ni Ni38 1 0.50114100 0.00228100 0.24946400 1.0 Ni Ni39 1 0.99930300 0.49965100 0.08347100 1.0 Ni Ni40 1 0.99771900 0.49885900 0.75053600 1.0 Ni Ni41 1 0.99806300 0.49903200 0.41712600 1.0 Ni Ni42 1 0.50034900 0.49965100 0.08347100 1.0 Ni Ni43 1 0.50114100 0.49885900 0.75053600 1.0 Ni Ni44 1 0.50096800 0.49903200 0.41712600 1.0 Ni Ni45 1 0.50114100 0.00228100 0.75053600 1.0 Ni Ni46 1 0.50096800 0.00193700 0.41712600 1.0 Ni Ni47 1 0.50034900 0.00069700 0.08347100 1.0