# generated using pymatgen data_Y3Mo(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99556727 _cell_length_b 11.04409061 _cell_length_c 12.74947939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Mo(P3Ir4)2 _chemical_formula_sum 'Y6 Mo2 P12 Ir16' _cell_volume 562.60146531 _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 Y Y0 1 0.00000000 0.50000000 0.52160868 1.0 Y Y1 1 0.50000000 0.00000000 0.47839132 1.0 Y Y2 1 0.50000000 0.81927951 0.20488120 1.0 Y Y3 1 0.50000000 0.18072049 0.20488120 1.0 Y Y4 1 0.00000000 0.68072049 0.79511880 1.0 Y Y5 1 0.00000000 0.31927951 0.79511880 1.0 Mo Mo6 1 0.50000000 0.50000000 0.16060551 1.0 Mo Mo7 1 0.00000000 0.00000000 0.83939449 1.0 P P8 1 0.50000000 0.50000000 0.87446839 1.0 P P9 1 0.00000000 0.00000000 0.12553161 1.0 P P10 1 0.50000000 0.50000000 0.34702851 1.0 P P11 1 0.00000000 0.00000000 0.65297149 1.0 P P12 1 0.50000000 0.31432339 0.61854257 1.0 P P13 1 0.50000000 0.68567661 0.61854257 1.0 P P14 1 0.00000000 0.18567661 0.38145743 1.0 P P15 1 0.00000000 0.81432339 0.38145743 1.0 P P16 1 0.50000000 0.84518512 0.88542552 1.0 P P17 1 0.50000000 0.15481488 0.88542552 1.0 P P18 1 0.00000000 0.65481488 0.11457448 1.0 P P19 1 0.00000000 0.34518512 0.11457448 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69725052 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30274948 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99613475 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00386525 1.0 Ir Ir24 1 0.50000000 0.33117061 0.97984491 1.0 Ir Ir25 1 0.50000000 0.66882939 0.97984491 1.0 Ir Ir26 1 0.00000000 0.16882939 0.02015509 1.0 Ir Ir27 1 0.00000000 0.83117061 0.02015509 1.0 Ir Ir28 1 0.50000000 0.29954994 0.43354210 1.0 Ir Ir29 1 0.50000000 0.70045006 0.43354210 1.0 Ir Ir30 1 0.00000000 0.20045006 0.56645790 1.0 Ir Ir31 1 0.00000000 0.79954994 0.56645790 1.0 Ir Ir32 1 0.50000000 0.87316698 0.70931147 1.0 Ir Ir33 1 0.50000000 0.12683302 0.70931147 1.0 Ir Ir34 1 0.00000000 0.62683302 0.29068853 1.0 Ir Ir35 1 0.00000000 0.37316698 0.29068853 1.0