# generated using pymatgen data_Al7(CN)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25136639 _cell_length_b 3.25136639 _cell_length_c 32.07933600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000788 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al7(CN)3 _chemical_formula_sum 'Al14 C6 N6' _cell_volume 293.68907465 _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 Al Al0 1 0.00000000 0.00000000 0.11110600 1.0 Al Al1 1 0.00000000 0.00000000 0.89173400 1.0 Al Al2 1 0.00000000 0.00000000 0.61110600 1.0 Al Al3 1 0.66666700 0.33333300 0.18362400 1.0 Al Al4 1 0.66666700 0.33333300 0.46984700 1.0 Al Al5 1 0.00000000 0.00000000 0.74136800 1.0 Al Al6 1 0.66666700 0.33333300 0.03165400 1.0 Al Al7 1 0.66666700 0.33333300 0.31296100 1.0 Al Al8 1 0.00000000 0.00000000 0.39173400 1.0 Al Al9 1 0.33333300 0.66666700 0.96984700 1.0 Al Al10 1 0.33333300 0.66666700 0.53165400 1.0 Al Al11 1 0.33333300 0.66666700 0.81296100 1.0 Al Al12 1 0.33333300 0.66666700 0.68362400 1.0 Al Al13 1 0.00000000 0.00000000 0.24136800 1.0 C C14 1 0.33333300 0.66666700 0.75197000 1.0 C C15 1 0.00000000 0.00000000 0.99979700 1.0 C C16 1 0.66666700 0.33333300 0.25197000 1.0 C C17 1 0.00000000 0.00000000 0.49979700 1.0 C C18 1 0.00000000 0.00000000 0.17120200 1.0 C C19 1 0.00000000 0.00000000 0.67120200 1.0 N N20 1 0.66666700 0.33333300 0.41212300 1.0 N N21 1 0.33333300 0.66666700 0.91212300 1.0 N N22 1 0.00000000 0.00000000 0.83400800 1.0 N N23 1 0.00000000 0.00000000 0.33400800 1.0 N N24 1 0.33333300 0.66666700 0.58850800 1.0 N N25 1 0.66666700 0.33333300 0.08850800 1.0