# generated using pymatgen data_Si4Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70380703 _cell_length_b 5.81779004 _cell_length_c 18.92930819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si4Ir3 _chemical_formula_sum 'Si16 Ir12' _cell_volume 407.88819622 _cell_formula_units_Z 4 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 Si Si0 1 0.25000000 0.97373575 0.45033173 1.0 Si Si1 1 0.75000000 0.02626425 0.54966827 1.0 Si Si2 1 0.75000000 0.47373575 0.04966827 1.0 Si Si3 1 0.25000000 0.52626425 0.95033173 1.0 Si Si4 1 0.25000000 0.07741000 0.90912518 1.0 Si Si5 1 0.75000000 0.92259000 0.09087482 1.0 Si Si6 1 0.75000000 0.57741000 0.59087482 1.0 Si Si7 1 0.25000000 0.42259000 0.40912518 1.0 Si Si8 1 0.25000000 0.71671576 0.26982659 1.0 Si Si9 1 0.75000000 0.28328424 0.73017341 1.0 Si Si10 1 0.75000000 0.21671576 0.23017341 1.0 Si Si11 1 0.25000000 0.78328424 0.76982659 1.0 Si Si12 1 0.25000000 0.38780907 0.14362770 1.0 Si Si13 1 0.75000000 0.61219093 0.85637230 1.0 Si Si14 1 0.75000000 0.88780907 0.35637230 1.0 Si Si15 1 0.25000000 0.11219093 0.64362770 1.0 Ir Ir16 1 0.25000000 0.39353363 0.82624364 1.0 Ir Ir17 1 0.75000000 0.60646637 0.17375636 1.0 Ir Ir18 1 0.75000000 0.89353363 0.67375636 1.0 Ir Ir19 1 0.25000000 0.10646637 0.32624364 1.0 Ir Ir20 1 0.25000000 0.49948459 0.67620713 1.0 Ir Ir21 1 0.75000000 0.50051541 0.32379287 1.0 Ir Ir22 1 0.75000000 -0.00051541 0.82379287 1.0 Ir Ir23 1 0.25000000 0.00051541 0.17620713 1.0 Ir Ir24 1 0.25000000 0.30355911 0.53133448 1.0 Ir Ir25 1 0.75000000 0.69644089 0.46866552 1.0 Ir Ir26 1 0.75000000 0.80355911 0.96866552 1.0 Ir Ir27 1 0.25000000 0.19644089 0.03133448 1.0