# generated using pymatgen data_Zr8Si5P7Ir16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.77239633 _cell_length_b 12.76528996 _cell_length_c 3.90062671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.61876733 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Si5P7Ir16 _chemical_formula_sum 'Zr8 Si5 P7 Ir16' _cell_volume 552.87082383 _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 0.43967648 0.44415939 0.00000000 1.0 Zr Zr1 1 0.55693992 0.00038417 0.00000000 1.0 Zr Zr2 1 0.00571789 0.55773558 0.00000000 1.0 Zr Zr3 1 0.66702769 0.33354001 0.00000000 1.0 Zr Zr4 1 0.33391884 0.67112434 0.00000000 1.0 Zr Zr5 1 0.80855771 0.80671297 0.50000000 1.0 Zr Zr6 1 0.19081045 0.00284599 0.50000000 1.0 Zr Zr7 1 0.99840431 0.18529747 0.50000000 1.0 Si Si8 1 0.48409319 0.31278622 0.50000000 1.0 Si Si9 1 0.69191070 0.17377630 0.50000000 1.0 Si Si10 1 0.82827706 0.51483153 0.50000000 1.0 Si Si11 1 0.51664402 0.82760201 0.50000000 1.0 Si Si12 1 0.17526997 0.69583692 0.50000000 1.0 P P13 1 0.64812274 0.64378226 0.00000000 1.0 P P14 1 0.35326413 0.00217184 0.00000000 1.0 P P15 1 0.99477067 0.34662201 0.00000000 1.0 P P16 1 0.82468271 0.99591684 0.00000000 1.0 P P17 1 0.99862067 0.82574525 0.00000000 1.0 P P18 1 0.30800085 0.48073661 0.50000000 1.0 P P19 1 0.17256505 0.17167083 0.00000000 1.0 Ir Ir20 1 0.18260525 0.36396104 0.00000000 1.0 Ir Ir21 1 0.17948485 0.81464366 0.00000000 1.0 Ir Ir22 1 0.82223737 0.62874142 0.00000000 1.0 Ir Ir23 1 0.80832097 0.17541379 0.00000000 1.0 Ir Ir24 1 0.36754587 0.19042893 0.00000000 1.0 Ir Ir25 1 0.14087308 0.50039490 0.50000000 1.0 Ir Ir26 1 0.36080502 0.87456004 0.50000000 1.0 Ir Ir27 1 0.49925384 0.63655197 0.50000000 1.0 Ir Ir28 1 0.64125917 0.51490454 0.50000000 1.0 Ir Ir29 1 0.87799284 0.35832545 0.50000000 1.0 Ir Ir30 1 0.49345653 0.13412982 0.50000000 1.0 Ir Ir31 1 0.99974344 0.99952799 0.00000000 1.0 Ir Ir32 1 0.72697051 0.99652746 0.50000000 1.0 Ir Ir33 1 0.99994736 0.72819983 0.50000000 1.0 Ir Ir34 1 0.63094865 0.81620395 0.00000000 1.0 Ir Ir35 1 0.27128121 0.27420866 0.50000000 1.0