# generated using pymatgen data_Nb3Al2CoN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18325805 _cell_length_b 8.18325882 _cell_length_c 8.18325903 _cell_angle_alpha 59.99999917 _cell_angle_beta 59.99999603 _cell_angle_gamma 60.00000281 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Al2CoN _chemical_formula_sum 'Nb12 Al8 Co4 N4' _cell_volume 387.49296977 _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 0.55926398 0.94073602 0.55926398 1.0 Nb Nb1 1 0.30926398 0.69073602 0.69073602 1.0 Nb Nb2 1 0.69073602 0.30926398 0.30926398 1.0 Nb Nb3 1 0.30926398 0.69073602 0.30926398 1.0 Nb Nb4 1 0.69073602 0.69073602 0.30926398 1.0 Nb Nb5 1 0.30926398 0.30926398 0.69073602 1.0 Nb Nb6 1 0.55926398 0.55926398 0.94073602 1.0 Nb Nb7 1 0.94073602 0.55926398 0.55926398 1.0 Nb Nb8 1 0.55926398 0.94073602 0.94073602 1.0 Nb Nb9 1 0.94073602 0.94073602 0.55926398 1.0 Nb Nb10 1 0.69073602 0.30926398 0.69073602 1.0 Nb Nb11 1 0.94073602 0.55926398 0.94073602 1.0 Al Al12 1 0.91811093 0.91811093 0.91811093 1.0 Al Al13 1 0.00433078 0.33188907 0.33188907 1.0 Al Al14 1 0.33188907 0.00433078 0.33188907 1.0 Al Al15 1 0.33188907 0.33188907 0.00433078 1.0 Al Al16 1 0.91811093 0.24566922 0.91811093 1.0 Al Al17 1 0.91811093 0.91811093 0.24566922 1.0 Al Al18 1 0.24566922 0.91811093 0.91811093 1.0 Al Al19 1 0.33188907 0.33188907 0.33188907 1.0 Co Co20 1 0.12500000 0.12500000 0.12500000 1.0 Co Co21 1 0.62500000 0.12500000 0.12500000 1.0 Co Co22 1 0.12500000 0.62500000 0.12500000 1.0 Co Co23 1 0.12500000 0.12500000 0.62500000 1.0 N N24 1 0.62500000 0.62500000 0.62500000 1.0 N N25 1 0.12500000 0.62500000 0.62500000 1.0 N N26 1 0.62500000 0.12500000 0.62500000 1.0 N N27 1 0.62500000 0.62500000 0.12500000 1.0