# generated using pymatgen data_Y3Mg(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99882920 _cell_length_b 11.16486813 _cell_length_c 12.74148904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Mg(P3Ir4)2 _chemical_formula_sum 'Y6 Mg2 P12 Ir16' _cell_volume 568.86162580 _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 0.52186540 1.0 Y Y1 1 0.50000000 0.00000000 0.47813460 1.0 Y Y2 1 0.50000000 0.82071090 0.20593564 1.0 Y Y3 1 0.50000000 0.17928910 0.20593564 1.0 Y Y4 1 0.00000000 0.67928910 0.79406436 1.0 Y Y5 1 0.00000000 0.32071090 0.79406436 1.0 Mg Mg6 1 0.50000000 0.50000000 0.15728433 1.0 Mg Mg7 1 0.00000000 0.00000000 0.84271567 1.0 P P8 1 0.50000000 0.50000000 0.87761386 1.0 P P9 1 0.00000000 0.00000000 0.12238614 1.0 P P10 1 0.50000000 0.50000000 0.35536207 1.0 P P11 1 0.00000000 0.00000000 0.64463793 1.0 P P12 1 0.50000000 0.31358604 0.61793361 1.0 P P13 1 0.50000000 0.68641396 0.61793361 1.0 P P14 1 0.00000000 0.18641396 0.38206639 1.0 P P15 1 0.00000000 0.81358604 0.38206639 1.0 P P16 1 0.50000000 0.84109950 0.88739321 1.0 P P17 1 0.50000000 0.15890050 0.88739321 1.0 P P18 1 0.00000000 0.65890050 0.11260679 1.0 P P19 1 0.00000000 0.34109950 0.11260679 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69930677 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30069323 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99607746 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00392254 1.0 Ir Ir24 1 0.50000000 0.33190544 0.98315215 1.0 Ir Ir25 1 0.50000000 0.66809456 0.98315215 1.0 Ir Ir26 1 0.00000000 0.16809456 0.01684785 1.0 Ir Ir27 1 0.00000000 0.83190544 0.01684785 1.0 Ir Ir28 1 0.50000000 0.29893060 0.43364428 1.0 Ir Ir29 1 0.50000000 0.70106940 0.43364428 1.0 Ir Ir30 1 0.00000000 0.20106940 0.56635572 1.0 Ir Ir31 1 0.00000000 0.79893060 0.56635572 1.0 Ir Ir32 1 0.50000000 0.87179588 0.70933557 1.0 Ir Ir33 1 0.50000000 0.12820412 0.70933557 1.0 Ir Ir34 1 0.00000000 0.62820412 0.29066443 1.0 Ir Ir35 1 0.00000000 0.37179588 0.29066443 1.0