# generated using pymatgen data_Y3Ta(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00697244 _cell_length_b 11.06760794 _cell_length_c 12.78628918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Ta(P3Ir4)2 _chemical_formula_sum 'Y6 Ta2 P12 Ir16' _cell_volume 567.04123738 _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 0.52191788 1.0 Y Y1 1 0.50000000 0.00000000 0.47808212 1.0 Y Y2 1 0.50000000 0.82027876 0.20353068 1.0 Y Y3 1 0.50000000 0.17972124 0.20353068 1.0 Y Y4 1 0.00000000 0.67972124 0.79646932 1.0 Y Y5 1 0.00000000 0.32027876 0.79646932 1.0 Ta Ta6 1 0.50000000 0.50000000 0.15939816 1.0 Ta Ta7 1 0.00000000 0.00000000 0.84060184 1.0 P P8 1 0.50000000 0.50000000 0.87404727 1.0 P P9 1 0.00000000 0.00000000 0.12595273 1.0 P P10 1 0.50000000 0.50000000 0.35075133 1.0 P P11 1 0.00000000 0.00000000 0.64924867 1.0 P P12 1 0.50000000 0.31362898 0.61702158 1.0 P P13 1 0.50000000 0.68637102 0.61702158 1.0 P P14 1 0.00000000 0.18637102 0.38297842 1.0 P P15 1 0.00000000 0.81362898 0.38297842 1.0 P P16 1 0.50000000 0.84417603 0.88510562 1.0 P P17 1 0.50000000 0.15582397 0.88510562 1.0 P P18 1 0.00000000 0.65582397 0.11489438 1.0 P P19 1 0.00000000 0.34417603 0.11489438 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69636960 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30363040 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99638818 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00361182 1.0 Ir Ir24 1 0.50000000 0.33127574 0.97954926 1.0 Ir Ir25 1 0.50000000 0.66872426 0.97954926 1.0 Ir Ir26 1 0.00000000 0.16872426 0.02045074 1.0 Ir Ir27 1 0.00000000 0.83127574 0.02045074 1.0 Ir Ir28 1 0.50000000 0.29831446 0.43299817 1.0 Ir Ir29 1 0.50000000 0.70168554 0.43299817 1.0 Ir Ir30 1 0.00000000 0.20168554 0.56700183 1.0 Ir Ir31 1 0.00000000 0.79831446 0.56700183 1.0 Ir Ir32 1 0.50000000 0.87186694 0.70889806 1.0 Ir Ir33 1 0.50000000 0.12813306 0.70889806 1.0 Ir Ir34 1 0.00000000 0.62813306 0.29110194 1.0 Ir Ir35 1 0.00000000 0.37186694 0.29110194 1.0