# generated using pymatgen data_Y3Zr7(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.41459440 _cell_length_b 12.41459440 _cell_length_c 4.14387195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.04721535 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Zr7(Si5Ir2)4 _chemical_formula_sum 'Y3 Zr7 Si20 Ir8' _cell_volume 638.66225375 _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 Y Y0 1 0.11383112 0.61383112 0.50000000 1.0 Y Y1 1 0.38607417 0.11468443 0.50000000 1.0 Y Y2 1 0.61468443 0.88607417 0.50000000 1.0 Zr Zr3 1 0.49929064 0.50083149 0.00000000 1.0 Zr Zr4 1 0.00083149 0.99929064 0.00000000 1.0 Zr Zr5 1 0.67763257 0.17763257 0.50000000 1.0 Zr Zr6 1 0.32509833 0.82509833 0.50000000 1.0 Zr Zr7 1 0.17346243 0.32414718 0.50000000 1.0 Zr Zr8 1 0.82414718 0.67346243 0.50000000 1.0 Zr Zr9 1 0.88660351 0.38660351 0.50000000 1.0 Si Si10 1 0.56867748 0.06867748 0.00000000 1.0 Si Si11 1 0.43303696 0.93303696 0.00000000 1.0 Si Si12 1 0.06502951 0.43185830 0.00000000 1.0 Si Si13 1 0.93185830 0.56502951 0.00000000 1.0 Si Si14 1 0.66451478 0.70009034 0.00000000 1.0 Si Si15 1 0.33580237 0.29955659 0.00000000 1.0 Si Si16 1 0.16436063 0.79893150 0.00000000 1.0 Si Si17 1 0.83724549 0.20296700 0.00000000 1.0 Si Si18 1 0.29893150 0.66436063 0.00000000 1.0 Si Si19 1 0.70296700 0.33724549 0.00000000 1.0 Si Si20 1 0.20009034 0.16451478 0.00000000 1.0 Si Si21 1 0.79955659 0.83580237 0.00000000 1.0 Si Si22 1 0.65455743 0.50410325 0.50000000 1.0 Si Si23 1 0.34679073 0.48786344 0.50000000 1.0 Si Si24 1 0.15320732 0.99054385 0.50000000 1.0 Si Si25 1 0.84772939 0.00973555 0.50000000 1.0 Si Si26 1 0.49054385 0.65320732 0.50000000 1.0 Si Si27 1 0.50973555 0.34772939 0.50000000 1.0 Si Si28 1 0.00410325 0.15455743 0.50000000 1.0 Si Si29 1 0.98786344 0.84679073 0.50000000 1.0 Ir Ir30 1 0.74364483 0.52096592 0.00000000 1.0 Ir Ir31 1 0.25592581 0.47833393 0.00000000 1.0 Ir Ir32 1 0.24228372 0.97865059 0.00000000 1.0 Ir Ir33 1 0.75895267 0.02298573 0.00000000 1.0 Ir Ir34 1 0.47865059 0.74228372 0.00000000 1.0 Ir Ir35 1 0.52298573 0.25895267 0.00000000 1.0 Ir Ir36 1 0.02096592 0.24364483 0.00000000 1.0 Ir Ir37 1 0.97833393 0.75592581 0.00000000 1.0