# generated using pymatgen data_Nb4B3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.01891597 _cell_length_b 19.01891597 _cell_length_c 3.15409800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 170.18072903 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4B3C2 _chemical_formula_sum 'Nb8 B6 C4' _cell_volume 194.56974630 _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 0.53579100 0.46420900 0.25000000 1.0 Nb Nb1 1 0.46420900 0.53579100 0.75000000 1.0 Nb Nb2 1 0.60544300 0.39455700 0.75000000 1.0 Nb Nb3 1 0.39455700 0.60544300 0.25000000 1.0 Nb Nb4 1 0.71946300 0.28053700 0.75000000 1.0 Nb Nb5 1 0.28053700 0.71946300 0.25000000 1.0 Nb Nb6 1 0.16213600 0.83786400 0.25000000 1.0 Nb Nb7 1 0.83786400 0.16213600 0.75000000 1.0 B B8 1 0.08541300 0.91458700 0.25000000 1.0 B B9 1 0.91458700 0.08541300 0.75000000 1.0 B B10 1 0.93972000 0.06028000 0.25000000 1.0 B B11 1 0.06028000 0.93972000 0.75000000 1.0 B B12 1 0.98821600 0.01178400 0.25000000 1.0 B B13 1 0.01178400 0.98821600 0.75000000 1.0 C C14 1 0.66171500 0.33828500 0.75000000 1.0 C C15 1 0.33828500 0.66171500 0.25000000 1.0 C C16 1 0.77978100 0.22021900 0.75000000 1.0 C C17 1 0.22021900 0.77978100 0.25000000 1.0