# generated using pymatgen data_Nb3Co4B7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30155421 _cell_length_b 9.30155421 _cell_length_c 8.85734029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.23655087 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Co4B7 _chemical_formula_sum 'Nb6 Co8 B14' _cell_volume 259.12414423 _cell_formula_units_Z 2 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 0.69830748 0.30169252 0.25000000 1.0 Nb Nb1 1 0.30169252 0.69830748 0.75000000 1.0 Nb Nb2 1 0.58087902 0.41912098 0.55501862 1.0 Nb Nb3 1 0.41912098 0.58087902 0.44498138 1.0 Nb Nb4 1 0.41912098 0.58087902 0.05501862 1.0 Nb Nb5 1 0.58087902 0.41912098 0.94498138 1.0 Co Co6 1 0.54198033 0.45801967 0.25000000 1.0 Co Co7 1 0.45801967 0.54198033 0.75000000 1.0 Co Co8 1 0.84359447 0.15640553 0.25000000 1.0 Co Co9 1 0.15640553 0.84359447 0.75000000 1.0 Co Co10 1 0.80077066 0.19922934 0.50539515 1.0 Co Co11 1 0.19922934 0.80077066 0.49460485 1.0 Co Co12 1 0.19922934 0.80077066 0.00539515 1.0 Co Co13 1 0.80077066 0.19922934 0.99460485 1.0 B B14 1 0.95497570 0.04502430 0.25000000 1.0 B B15 1 0.04502430 0.95497570 0.75000000 1.0 B B16 1 0.89009804 0.10990196 0.64766643 1.0 B B17 1 0.10990196 0.89009804 0.35233357 1.0 B B18 1 0.10990196 0.89009804 0.14766643 1.0 B B19 1 0.89009804 0.10990196 0.85233357 1.0 B B20 1 0.71012475 0.28987525 0.64440072 1.0 B B21 1 0.28987525 0.71012475 0.35559928 1.0 B B22 1 0.28987525 0.71012475 0.14440072 1.0 B B23 1 0.71012475 0.28987525 0.85559928 1.0 B B24 1 0.98443494 0.01556506 0.59349505 1.0 B B25 1 0.01556506 0.98443494 0.40650495 1.0 B B26 1 0.01556506 0.98443494 0.09349505 1.0 B B27 1 0.98443494 0.01556506 0.90650495 1.0