# generated using pymatgen data_Zr2Al3C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25582015 _cell_length_b 3.25582015 _cell_length_c 24.66225200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000299 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Al3C5 _chemical_formula_sum 'Zr4 Al6 C10' _cell_volume 226.40403479 _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 Zr Zr0 1 0.66666700 0.33333300 0.05604100 1.0 Zr Zr1 1 0.33333300 0.66666700 0.55604100 1.0 Zr Zr2 1 0.66666700 0.33333300 0.44395900 1.0 Zr Zr3 1 0.33333300 0.66666700 0.94395900 1.0 Al Al4 1 0.00000000 0.00000000 0.65252800 1.0 Al Al5 1 0.00000000 0.00000000 0.84747200 1.0 Al Al6 1 0.33333300 0.66666700 0.25000000 1.0 Al Al7 1 0.66666700 0.33333300 0.75000000 1.0 Al Al8 1 0.00000000 0.00000000 0.34747200 1.0 Al Al9 1 0.00000000 0.00000000 0.15252800 1.0 C C10 1 0.66666700 0.33333300 0.21776300 1.0 C C11 1 0.66666700 0.33333300 0.28223700 1.0 C C12 1 0.33333300 0.66666700 0.71776300 1.0 C C13 1 0.33333300 0.66666700 0.11417800 1.0 C C14 1 0.33333300 0.66666700 0.78223700 1.0 C C15 1 0.00000000 0.00000000 0.50000000 1.0 C C16 1 0.00000000 0.00000000 0.00000000 1.0 C C17 1 0.33333300 0.66666700 0.38582200 1.0 C C18 1 0.66666700 0.33333300 0.61417800 1.0 C C19 1 0.66666700 0.33333300 0.88582200 1.0