# generated using pymatgen data_Zr2Si3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.86541333 _cell_length_b 12.86541265 _cell_length_c 3.93248208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999416 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Si3Ir4 _chemical_formula_sum 'Zr8 Si12 Ir16' _cell_volume 563.69589754 _cell_formula_units_Z 4 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 0.43619935 0.43619935 0.00000000 1.0 Zr Zr1 1 0.56380065 1.00000000 0.00000000 1.0 Zr Zr2 1 1.00000000 0.56380065 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 0.80349479 0.80349479 0.50000000 1.0 Zr Zr6 1 0.19650521 1.00000000 0.50000000 1.0 Zr Zr7 1 1.00000000 0.19650521 0.50000000 1.0 Si Si8 1 0.64206827 0.64206827 0.00000000 1.0 Si Si9 1 0.35793173 0.00000000 0.00000000 1.0 Si Si10 1 0.00000000 0.35793173 0.00000000 1.0 Si Si11 1 0.48192815 0.30564316 0.50000000 1.0 Si Si12 1 0.69435684 0.17628299 0.50000000 1.0 Si Si13 1 0.82371701 0.51807185 0.50000000 1.0 Si Si14 1 0.51807185 0.82371701 0.50000000 1.0 Si Si15 1 0.17628299 0.69435684 0.50000000 1.0 Si Si16 1 0.82433713 0.00000000 0.00000000 1.0 Si Si17 1 0.00000000 0.82433713 0.00000000 1.0 Si Si18 1 0.30564316 0.48192815 0.50000000 1.0 Si Si19 1 0.17566287 0.17566287 0.00000000 1.0 Ir Ir20 1 0.18956287 0.37066442 0.00000000 1.0 Ir Ir21 1 0.18110054 0.81043713 0.00000000 1.0 Ir Ir22 1 0.81889946 0.62933558 0.00000000 1.0 Ir Ir23 1 0.81043713 0.18110054 0.00000000 1.0 Ir Ir24 1 0.37066442 0.18956287 0.00000000 1.0 Ir Ir25 1 0.12670986 0.49061509 0.50000000 1.0 Ir Ir26 1 0.36390522 0.87329014 0.50000000 1.0 Ir Ir27 1 0.50938491 0.63609478 0.50000000 1.0 Ir Ir28 1 0.63609478 0.50938491 0.50000000 1.0 Ir Ir29 1 0.87329014 0.36390522 0.50000000 1.0 Ir Ir30 1 0.49061509 0.12670986 0.50000000 1.0 Ir Ir31 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir32 1 0.72624736 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.72624736 0.50000000 1.0 Ir Ir34 1 0.62933558 0.81889946 0.00000000 1.0 Ir Ir35 1 0.27375264 0.27375264 0.50000000 1.0