# generated using pymatgen data_SrY3P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95453652 _cell_length_b 12.65313675 _cell_length_c 13.09639892 _cell_angle_alpha 81.53421323 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrY3P7Ir8 _chemical_formula_sum 'Sr2 Y6 P14 Ir16' _cell_volume 648.16805639 _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 Sr Sr0 1 0.25000000 0.10728810 0.78976248 1.0 Sr Sr1 1 0.75000000 0.89271190 0.21023752 1.0 Y Y2 1 0.25000000 0.28175077 0.10029046 1.0 Y Y3 1 0.75000000 0.71824923 0.89970954 1.0 Y Y4 1 0.25000000 0.51992853 0.29269449 1.0 Y Y5 1 0.75000000 0.48007147 0.70730551 1.0 Y Y6 1 0.25000000 0.21009253 0.43973396 1.0 Y Y7 1 0.75000000 0.78990747 0.56026604 1.0 P P8 1 0.25000000 0.05690462 0.09909296 1.0 P P9 1 0.75000000 0.94309538 0.90090704 1.0 P P10 1 0.25000000 0.31781896 0.68569663 1.0 P P11 1 0.75000000 0.68218104 0.31430337 1.0 P P12 1 0.25000000 0.60921439 0.56581944 1.0 P P13 1 0.75000000 0.39078561 0.43418056 1.0 P P14 1 0.25000000 0.84300589 0.71862163 1.0 P P15 1 0.75000000 0.15699411 0.28137837 1.0 P P16 1 0.75000000 0.25973483 0.92059065 1.0 P P17 1 0.25000000 0.74026517 0.07940935 1.0 P P18 1 0.75000000 0.09153472 0.58681159 1.0 P P19 1 0.25000000 0.90846528 0.41318841 1.0 P P20 1 0.75000000 0.46999082 0.12865725 1.0 P P21 1 0.25000000 0.53000918 0.87134275 1.0 Ir Ir22 1 0.25000000 0.98603779 0.57571432 1.0 Ir Ir23 1 0.75000000 0.01396221 0.42428568 1.0 Ir Ir24 1 0.25000000 0.66239748 0.73020086 1.0 Ir Ir25 1 0.75000000 0.33760252 0.26979914 1.0 Ir Ir26 1 0.25000000 0.54890792 0.05083894 1.0 Ir Ir27 1 0.75000000 0.45109208 0.94916106 1.0 Ir Ir28 1 0.25000000 0.06663827 0.27367662 1.0 Ir Ir29 1 0.75000000 0.93336173 0.72632338 1.0 Ir Ir30 1 0.25000000 0.42319734 0.52231930 1.0 Ir Ir31 1 0.75000000 0.57680266 0.47768070 1.0 Ir Ir32 1 0.25000000 0.91631211 0.99601025 1.0 Ir Ir33 1 0.75000000 0.08368789 0.00398975 1.0 Ir Ir34 1 0.25000000 0.72697916 0.39974211 1.0 Ir Ir35 1 0.75000000 0.27302084 0.60025789 1.0 Ir Ir36 1 0.25000000 0.34351579 0.85862123 1.0 Ir Ir37 1 0.75000000 0.65648421 0.14137877 1.0