# generated using pymatgen data_Nb3Co3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03011532 _cell_length_b 8.03011532 _cell_length_c 8.03011532 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Co3C _chemical_formula_sum 'Nb12 Co12 C4' _cell_volume 366.14267454 _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 0.69934100 0.30065900 0.69934100 1.0 Nb Nb1 1 0.94934100 0.55065900 0.55065900 1.0 Nb Nb2 1 0.55065900 0.94934100 0.94934100 1.0 Nb Nb3 1 0.94934100 0.55065900 0.94934100 1.0 Nb Nb4 1 0.55065900 0.55065900 0.94934100 1.0 Nb Nb5 1 0.94934100 0.94934100 0.55065900 1.0 Nb Nb6 1 0.69934100 0.69934100 0.30065900 1.0 Nb Nb7 1 0.30065900 0.69934100 0.69934100 1.0 Nb Nb8 1 0.69934100 0.30065900 0.30065900 1.0 Nb Nb9 1 0.30065900 0.30065900 0.69934100 1.0 Nb Nb10 1 0.55065900 0.94934100 0.55065900 1.0 Nb Nb11 1 0.30065900 0.69934100 0.30065900 1.0 Co Co12 1 0.12500000 0.12500000 0.12500000 1.0 Co Co13 1 0.62500000 0.12500000 0.12500000 1.0 Co Co14 1 0.12500000 0.62500000 0.12500000 1.0 Co Co15 1 0.12500000 0.12500000 0.62500000 1.0 Co Co16 1 0.32715900 0.32715900 0.32715900 1.0 Co Co17 1 0.23147600 0.92284100 0.92284100 1.0 Co Co18 1 0.92284100 0.23147600 0.92284100 1.0 Co Co19 1 0.92284100 0.92284100 0.23147600 1.0 Co Co20 1 0.32715900 0.01852400 0.32715900 1.0 Co Co21 1 0.32715900 0.32715900 0.01852400 1.0 Co Co22 1 0.01852400 0.32715900 0.32715900 1.0 Co Co23 1 0.92284100 0.92284100 0.92284100 1.0 C C24 1 0.62500000 0.62500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.62500000 1.0 C C26 1 0.62500000 0.12500000 0.62500000 1.0 C C27 1 0.62500000 0.62500000 0.12500000 1.0