# generated using pymatgen data_Ce5Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.84468316 _cell_length_b 12.84468315 _cell_length_c 3.98894687 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000002 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce5Si12Ir19 _chemical_formula_sum 'Ce5 Si12 Ir19' _cell_volume 569.94857904 _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 Ce Ce0 1 0.33333300 0.66666700 0.50000000 1.0 Ce Ce1 1 0.66666700 0.33333300 0.50000000 1.0 Ce Ce2 1 0.00000000 0.81467134 0.00000000 1.0 Ce Ce3 1 0.18532866 0.18532866 0.00000000 1.0 Ce Ce4 1 0.81467134 0.00000000 0.00000000 1.0 Si Si5 1 1.00000000 0.62961188 0.50000000 1.0 Si Si6 1 0.37038812 0.37038812 0.50000000 1.0 Si Si7 1 0.62961188 0.00000000 0.50000000 1.0 Si Si8 1 0.52095228 0.68893245 0.00000000 1.0 Si Si9 1 0.31106755 0.83201982 0.00000000 1.0 Si Si10 1 0.16798018 0.47904772 0.00000000 1.0 Si Si11 1 0.47904772 0.16798018 0.00000000 1.0 Si Si12 1 0.68893245 0.52095228 0.00000000 1.0 Si Si13 1 0.83201982 0.31106755 0.00000000 1.0 Si Si14 1 0.00000000 0.18292753 0.50000000 1.0 Si Si15 1 0.81707247 0.81707247 0.50000000 1.0 Si Si16 1 0.18292753 0.00000000 0.50000000 1.0 Ir Ir17 1 0.51157594 0.87420263 0.00000000 1.0 Ir Ir18 1 0.12579737 0.63737331 0.00000000 1.0 Ir Ir19 1 0.36262669 0.48842406 0.00000000 1.0 Ir Ir20 1 0.48842406 0.36262669 0.00000000 1.0 Ir Ir21 1 0.87420263 0.51157594 0.00000000 1.0 Ir Ir22 1 0.63737331 0.12579737 0.00000000 1.0 Ir Ir23 1 0.00000000 0.44662862 0.50000000 1.0 Ir Ir24 1 0.55337138 0.55337138 0.50000000 1.0 Ir Ir25 1 0.44662862 0.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.28303363 0.00000000 1.0 Ir Ir27 1 0.71696637 0.71696637 0.00000000 1.0 Ir Ir28 1 0.28303363 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62304142 0.80564167 0.50000000 1.0 Ir Ir30 1 0.19435833 0.81739875 0.50000000 1.0 Ir Ir31 1 0.18260125 0.37695858 0.50000000 1.0 Ir Ir32 1 0.37695858 0.18260125 0.50000000 1.0 Ir Ir33 1 0.80564167 0.62304142 0.50000000 1.0 Ir Ir34 1 0.81739875 0.19435833 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0