# generated using pymatgen data_Zr4Si3P3Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.80268882 _cell_length_b 12.80268870 _cell_length_c 3.90105266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999521 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Si3P3Ir8 _chemical_formula_sum 'Zr8 Si6 P6 Ir16' _cell_volume 553.75140479 _cell_formula_units_Z 2 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 0.44150882 0.44150882 0.00000000 1.0 Zr Zr1 1 0.55849118 1.00000000 0.00000000 1.0 Zr Zr2 1 1.00000000 0.55849118 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 0.80797171 0.80797171 0.50000000 1.0 Zr Zr6 1 0.19202829 1.00000000 0.50000000 1.0 Zr Zr7 1 1.00000000 0.19202829 0.50000000 1.0 Si Si8 1 0.48225929 0.30873359 0.50000000 1.0 Si Si9 1 0.69126641 0.17352470 0.50000000 1.0 Si Si10 1 0.82647530 0.51774071 0.50000000 1.0 Si Si11 1 0.51774071 0.82647530 0.50000000 1.0 Si Si12 1 0.17352470 0.69126641 0.50000000 1.0 Si Si13 1 0.30873359 0.48225929 0.50000000 1.0 P P14 1 0.64573322 0.64573322 0.00000000 1.0 P P15 1 0.35426678 0.00000000 0.00000000 1.0 P P16 1 0.00000000 0.35426678 0.00000000 1.0 P P17 1 0.82696539 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.82696539 0.00000000 1.0 P P19 1 0.17303461 0.17303461 0.00000000 1.0 Ir Ir20 1 0.18737604 0.36695266 0.00000000 1.0 Ir Ir21 1 0.17957463 0.81262396 0.00000000 1.0 Ir Ir22 1 0.82042537 0.63304734 0.00000000 1.0 Ir Ir23 1 0.81262396 0.17957463 0.00000000 1.0 Ir Ir24 1 0.36695266 0.18737604 0.00000000 1.0 Ir Ir25 1 0.12972206 0.49055354 0.50000000 1.0 Ir Ir26 1 0.36083148 0.87027794 0.50000000 1.0 Ir Ir27 1 0.50944646 0.63916852 0.50000000 1.0 Ir Ir28 1 0.63916852 0.50944646 0.50000000 1.0 Ir Ir29 1 0.87027794 0.36083148 0.50000000 1.0 Ir Ir30 1 0.49055354 0.12972206 0.50000000 1.0 Ir Ir31 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir32 1 0.72938356 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.72938356 0.50000000 1.0 Ir Ir34 1 0.63304734 0.82042537 0.00000000 1.0 Ir Ir35 1 0.27061644 0.27061644 0.50000000 1.0