# generated using pymatgen data_Zr8Ge3P9Ir16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.87541138 _cell_length_b 12.87541074 _cell_length_c 3.88062533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999661 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ge3P9Ir16 _chemical_formula_sum 'Zr8 Ge3 P9 Ir16' _cell_volume 557.12746311 _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 0.44302340 0.44302340 0.00000000 1.0 Zr Zr1 1 0.55697660 1.00000000 0.00000000 1.0 Zr Zr2 1 1.00000000 0.55697660 0.00000000 1.0 Zr Zr3 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr4 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr5 1 0.82330221 0.82330221 0.50000000 1.0 Zr Zr6 1 0.17669779 0.00000000 0.50000000 1.0 Zr Zr7 1 0.00000000 0.17669779 0.50000000 1.0 Ge Ge8 1 0.65236620 0.65236620 0.00000000 1.0 Ge Ge9 1 0.34763380 0.00000000 0.00000000 1.0 Ge Ge10 1 0.00000000 0.34763380 0.00000000 1.0 P P11 1 0.48203532 0.30906756 0.50000000 1.0 P P12 1 0.69093244 0.17296676 0.50000000 1.0 P P13 1 0.82703324 0.51796468 0.50000000 1.0 P P14 1 0.51796468 0.82703324 0.50000000 1.0 P P15 1 0.17296676 0.69093244 0.50000000 1.0 P P16 1 0.82695879 0.00000000 0.00000000 1.0 P P17 1 0.00000000 0.82695879 0.00000000 1.0 P P18 1 0.30906756 0.48203532 0.50000000 1.0 P P19 1 0.17304121 0.17304121 0.00000000 1.0 Ir Ir20 1 0.19789332 0.37279283 0.00000000 1.0 Ir Ir21 1 0.17489850 0.80210668 0.00000000 1.0 Ir Ir22 1 0.82510150 0.62720717 0.00000000 1.0 Ir Ir23 1 0.80210668 0.17489850 0.00000000 1.0 Ir Ir24 1 0.37279283 0.19789332 0.00000000 1.0 Ir Ir25 1 0.13754392 0.49871245 0.50000000 1.0 Ir Ir26 1 0.36116953 0.86245608 0.50000000 1.0 Ir Ir27 1 0.50128755 0.63883047 0.50000000 1.0 Ir Ir28 1 0.63883047 0.50128755 0.50000000 1.0 Ir Ir29 1 0.86245608 0.36116953 0.50000000 1.0 Ir Ir30 1 0.49871245 0.13754392 0.50000000 1.0 Ir Ir31 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir32 1 0.72763752 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.72763752 0.50000000 1.0 Ir Ir34 1 0.62720717 0.82510150 0.00000000 1.0 Ir Ir35 1 0.27236248 0.27236248 0.50000000 1.0