# generated using pymatgen data_Lu5Si9P3Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70520863 _cell_length_b 12.70520806 _cell_length_c 3.90220797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999893 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Si9P3Ir19 _chemical_formula_sum 'Lu5 Si9 P3 Ir19' _cell_volume 545.51240445 _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 Lu Lu0 1 0.66666700 0.33333300 0.00000000 1.0 Lu Lu1 1 0.33333300 0.66666700 0.00000000 1.0 Lu Lu2 1 0.81437913 0.81437913 0.50000000 1.0 Lu Lu3 1 0.18562087 1.00000000 0.50000000 1.0 Lu Lu4 1 0.00000000 0.18562087 0.50000000 1.0 Si Si5 1 0.68631476 0.16770019 0.50000000 1.0 Si Si6 1 0.83229981 0.51861457 0.50000000 1.0 Si Si7 1 0.48138543 0.31368524 0.50000000 1.0 Si Si8 1 0.16770019 0.68631476 0.50000000 1.0 Si Si9 1 0.51861457 0.83229981 0.50000000 1.0 Si Si10 1 0.31368524 0.48138543 0.50000000 1.0 Si Si11 1 0.63381257 0.63381257 0.00000000 1.0 Si Si12 1 0.36618743 1.00000000 0.00000000 1.0 Si Si13 1 0.00000000 0.36618743 0.00000000 1.0 P P14 1 0.17727786 0.17727786 0.00000000 1.0 P P15 1 0.82272214 0.00000000 0.00000000 1.0 P P16 1 1.00000000 0.82272214 0.00000000 1.0 Ir Ir17 1 0.80824197 0.17970846 0.00000000 1.0 Ir Ir18 1 0.82029154 0.62853351 0.00000000 1.0 Ir Ir19 1 0.37146649 0.19175803 0.00000000 1.0 Ir Ir20 1 0.17970846 0.80824197 0.00000000 1.0 Ir Ir21 1 0.62853351 0.82029154 0.00000000 1.0 Ir Ir22 1 0.19175803 0.37146649 0.00000000 1.0 Ir Ir23 1 0.44719771 0.44719771 0.00000000 1.0 Ir Ir24 1 0.55280229 0.00000000 0.00000000 1.0 Ir Ir25 1 1.00000000 0.55280229 0.00000000 1.0 Ir Ir26 1 0.27740973 0.27740973 0.50000000 1.0 Ir Ir27 1 0.72259027 0.00000000 0.50000000 1.0 Ir Ir28 1 1.00000000 0.72259027 0.50000000 1.0 Ir Ir29 1 0.87147425 0.35955895 0.50000000 1.0 Ir Ir30 1 0.64044105 0.51191630 0.50000000 1.0 Ir Ir31 1 0.48808370 0.12852575 0.50000000 1.0 Ir Ir32 1 0.35955895 0.87147425 0.50000000 1.0 Ir Ir33 1 0.51191630 0.64044105 0.50000000 1.0 Ir Ir34 1 0.12852575 0.48808370 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0