# generated using pymatgen data_Al6C3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47944300 _cell_length_b 4.16478700 _cell_length_c 9.23158219 _cell_angle_alpha 78.21710680 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al6C3N2 _chemical_formula_sum 'Al6 C3 N2' _cell_volume 130.95726339 _cell_formula_units_Z 1 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 Al Al0 1 0.50000000 0.27688700 0.74997300 1.0 Al Al1 1 0.50000000 0.07213300 0.39228200 1.0 Al Al2 1 0.00000000 0.51241700 0.51259900 1.0 Al Al3 1 0.50000000 0.62840300 0.14347300 1.0 Al Al4 1 0.00000000 0.75773300 0.83523400 1.0 Al Al5 1 0.00000000 0.16223500 0.06382600 1.0 C C6 1 0.50000000 0.10523200 0.18140600 1.0 C C7 1 0.50000000 0.70328800 0.57868800 1.0 C C8 1 0.00000000 0.26168800 0.83814900 1.0 N N9 1 0.00000000 0.66548000 0.05259700 1.0 N N10 1 0.50000000 0.82781000 0.71658400 1.0