# generated using pymatgen data_Zr5Si9P3Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.64265566 _cell_length_b 12.64265616 _cell_length_c 3.88096534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999612 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Si9P3Ir19 _chemical_formula_sum 'Zr5 Si9 P3 Ir19' _cell_volume 537.21366257 _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 Zr Zr0 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr2 1 0.00000000 0.81488788 0.00000000 1.0 Zr Zr3 1 0.18511212 0.18511212 0.00000000 1.0 Zr Zr4 1 0.81488788 0.00000000 0.00000000 1.0 Si Si5 1 1.00000000 0.63767014 0.50000000 1.0 Si Si6 1 0.36232986 0.36232986 0.50000000 1.0 Si Si7 1 0.63767014 1.00000000 0.50000000 1.0 Si Si8 1 0.51859497 0.68580214 0.00000000 1.0 Si Si9 1 0.31419786 0.83279183 0.00000000 1.0 Si Si10 1 0.16720817 0.48140503 0.00000000 1.0 Si Si11 1 0.48140503 0.16720817 0.00000000 1.0 Si Si12 1 0.68580214 0.51859497 0.00000000 1.0 Si Si13 1 0.83279183 0.31419786 0.00000000 1.0 P P14 1 1.00000000 0.17528240 0.50000000 1.0 P P15 1 0.82471760 0.82471760 0.50000000 1.0 P P16 1 0.17528240 1.00000000 0.50000000 1.0 Ir Ir17 1 0.51156818 0.87070175 0.00000000 1.0 Ir Ir18 1 0.12929825 0.64086643 0.00000000 1.0 Ir Ir19 1 0.35913357 0.48843182 0.00000000 1.0 Ir Ir20 1 0.48843182 0.35913357 0.00000000 1.0 Ir Ir21 1 0.87070175 0.51156818 0.00000000 1.0 Ir Ir22 1 0.64086643 0.12929825 0.00000000 1.0 Ir Ir23 1 1.00000000 0.45021026 0.50000000 1.0 Ir Ir24 1 0.54978974 0.54978974 0.50000000 1.0 Ir Ir25 1 0.45021026 1.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.27509421 0.00000000 1.0 Ir Ir27 1 0.72490579 0.72490579 0.00000000 1.0 Ir Ir28 1 0.27509421 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62993047 0.80883238 0.50000000 1.0 Ir Ir30 1 0.19116762 0.82109808 0.50000000 1.0 Ir Ir31 1 0.17890192 0.37006953 0.50000000 1.0 Ir Ir32 1 0.37006953 0.17890192 0.50000000 1.0 Ir Ir33 1 0.80883238 0.62993047 0.50000000 1.0 Ir Ir34 1 0.82109808 0.19116762 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0