# generated using pymatgen data_Ni3W6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98509564 _cell_length_b 7.98509564 _cell_length_c 19.53952263 _cell_angle_alpha 89.94358303 _cell_angle_beta 89.94358303 _cell_angle_gamma 60.03367757 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3W6C _chemical_formula_sum 'Ni24 W48 C8' _cell_volume 1079.32397934 _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 Ni Ni0 1 0.49973400 0.49973400 0.70666500 1.0 Ni Ni1 1 0.83338100 0.83338100 0.37509100 1.0 Ni Ni2 1 0.16643500 0.16643500 0.04070200 1.0 Ni Ni3 1 0.27851300 0.27851300 0.93035300 1.0 Ni Ni4 1 0.61057600 0.61057600 0.59695900 1.0 Ni Ni5 1 0.94474200 0.94474200 0.26402700 1.0 Ni Ni6 1 0.27836500 0.94287400 0.93025200 1.0 Ni Ni7 1 0.61220700 0.27836200 0.59711500 1.0 Ni Ni8 1 0.94381600 0.61128400 0.26397700 1.0 Ni Ni9 1 0.94287400 0.27836500 0.93025200 1.0 Ni Ni10 1 0.27836200 0.61220700 0.59711500 1.0 Ni Ni11 1 0.61128400 0.94381600 0.26397700 1.0 Ni Ni12 1 0.83356500 0.83356500 0.95929800 1.0 Ni Ni13 1 0.16661900 0.16661900 0.62490900 1.0 Ni Ni14 1 0.50026600 0.50026600 0.29333500 1.0 Ni Ni15 1 0.05525800 0.05525800 0.73597300 1.0 Ni Ni16 1 0.38942400 0.38942400 0.40304100 1.0 Ni Ni17 1 0.72148700 0.72148700 0.06964700 1.0 Ni Ni18 1 0.05618400 0.38871600 0.73602300 1.0 Ni Ni19 1 0.38779300 0.72163800 0.40288500 1.0 Ni Ni20 1 0.72163500 0.05712600 0.06974800 1.0 Ni Ni21 1 0.38871600 0.05618400 0.73602300 1.0 Ni Ni22 1 0.72163800 0.38779300 0.40288500 1.0 Ni Ni23 1 0.05712600 0.72163500 0.06974800 1.0 W W24 1 0.71380400 0.71380400 0.72792900 1.0 W W25 1 0.04618000 0.04618000 0.39786300 1.0 W W26 1 0.37886400 0.37886400 0.06095200 1.0 W W27 1 0.95987000 0.95987000 0.85579100 1.0 W W28 1 0.29451100 0.29451100 0.52167100 1.0 W W29 1 0.62520000 0.62520000 0.18984500 1.0 W W30 1 0.71483400 0.07128100 0.72690700 1.0 W W31 1 0.04665100 0.40772500 0.39465000 1.0 W W32 1 0.37954000 0.74159700 0.06114600 1.0 W W33 1 0.96072600 0.58043700 0.85578300 1.0 W W34 1 0.28063800 0.92238800 0.51975300 1.0 W W35 1 0.62551400 0.24980900 0.18952200 1.0 W W36 1 0.58043700 0.96072600 0.85578300 1.0 W W37 1 0.92238800 0.28063800 0.51975300 1.0 W W38 1 0.24980900 0.62551400 0.18952200 1.0 W W39 1 0.07128100 0.71483400 0.72690700 1.0 W W40 1 0.40772500 0.04665100 0.39465000 1.0 W W41 1 0.74159700 0.37954000 0.06114600 1.0 W W42 1 0.62113600 0.62113600 0.93904800 1.0 W W43 1 0.95382000 0.95382000 0.60213700 1.0 W W44 1 0.28619600 0.28619600 0.27207100 1.0 W W45 1 0.37480000 0.37480000 0.81015500 1.0 W W46 1 0.70548900 0.70548900 0.47832900 1.0 W W47 1 0.04013000 0.04013000 0.14420900 1.0 W W48 1 0.62046000 0.25840300 0.93885400 1.0 W W49 1 0.95334900 0.59227500 0.60535000 1.0 W W50 1 0.28516600 0.92871900 0.27309300 1.0 W W51 1 0.37448600 0.75019100 0.81047800 1.0 W W52 1 0.71936200 0.07761200 0.48024700 1.0 W W53 1 0.03927400 0.41956300 0.14421700 1.0 W W54 1 0.75019100 0.37448600 0.81047800 1.0 W W55 1 0.07761200 0.71936200 0.48024700 1.0 W W56 1 0.41956300 0.03927400 0.14421700 1.0 W W57 1 0.25840300 0.62046000 0.93885400 1.0 W W58 1 0.59227500 0.95334900 0.60535000 1.0 W W59 1 0.92871900 0.28516600 0.27309300 1.0 W W60 1 0.16641200 0.16641200 0.83332900 1.0 W W61 1 0.50000000 0.50000000 0.50000000 1.0 W W62 1 0.83358800 0.83358800 0.16667100 1.0 W W63 1 0.33338900 0.33338900 0.66605600 1.0 W W64 1 0.66661100 0.66661100 0.33394400 1.0 W W65 1 0.00000000 0.00000000 0.00000000 1.0 W W66 1 0.33376000 0.83362700 0.66629500 1.0 W W67 1 0.66624000 0.16637300 0.33370500 1.0 W W68 1 0.00000000 0.50000000 0.00000000 1.0 W W69 1 0.50000000 0.00000000 0.00000000 1.0 W W70 1 0.83362700 0.33376000 0.66629500 1.0 W W71 1 0.16637300 0.66624000 0.33370500 1.0 C C72 1 0.33292100 0.33292100 0.16632400 1.0 C C73 1 0.66707900 0.66707900 0.83367600 1.0 C C74 1 0.00000000 0.50000000 0.50000000 1.0 C C75 1 0.33254000 0.83457400 0.16714400 1.0 C C76 1 0.66746000 0.16542600 0.83285600 1.0 C C77 1 0.50000000 0.00000000 0.50000000 1.0 C C78 1 0.83457400 0.33254000 0.16714400 1.0 C C79 1 0.16542600 0.66746000 0.83285600 1.0