# generated using pymatgen data_Nb3Ni2WC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19597264 _cell_length_b 8.19597274 _cell_length_c 8.19597259 _cell_angle_alpha 60.00000061 _cell_angle_beta 60.00000021 _cell_angle_gamma 59.99999824 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ni2WC _chemical_formula_sum 'Nb12 Ni8 W4 C4' _cell_volume 389.30188074 _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 Nb Nb0 1 0.43833497 0.06166503 0.06166503 1.0 Nb Nb1 1 0.06166503 0.43833497 0.43833497 1.0 Nb Nb2 1 0.06166503 0.43833497 0.06166503 1.0 Nb Nb3 1 0.06166503 0.06166503 0.43833497 1.0 Nb Nb4 1 0.43833497 0.06166503 0.43833497 1.0 Nb Nb5 1 0.43833497 0.43833497 0.06166503 1.0 Nb Nb6 1 0.18833497 0.81166503 0.18833497 1.0 Nb Nb7 1 0.81166503 0.18833497 0.81166503 1.0 Nb Nb8 1 0.81166503 0.18833497 0.18833497 1.0 Nb Nb9 1 0.18833497 0.18833497 0.81166503 1.0 Nb Nb10 1 0.18833497 0.81166503 0.81166503 1.0 Nb Nb11 1 0.81166503 0.81166503 0.18833497 1.0 Ni Ni12 1 0.82746268 0.82746268 0.82746268 1.0 Ni Ni13 1 0.82746268 0.82746268 0.51760997 1.0 Ni Ni14 1 0.51760997 0.82746268 0.82746268 1.0 Ni Ni15 1 0.82746268 0.51760997 0.82746268 1.0 Ni Ni16 1 0.42253732 0.42253732 0.42253732 1.0 Ni Ni17 1 0.42253732 0.42253732 0.73239003 1.0 Ni Ni18 1 0.42253732 0.73239003 0.42253732 1.0 Ni Ni19 1 0.73239003 0.42253732 0.42253732 1.0 W W20 1 0.62500000 0.62500000 0.62500000 1.0 W W21 1 0.62500000 0.62500000 0.12500000 1.0 W W22 1 0.12500000 0.62500000 0.62500000 1.0 W W23 1 0.62500000 0.12500000 0.62500000 1.0 C C24 1 0.12500000 0.12500000 0.12500000 1.0 C C25 1 0.12500000 0.12500000 0.62500000 1.0 C C26 1 0.62500000 0.12500000 0.12500000 1.0 C C27 1 0.12500000 0.62500000 0.12500000 1.0