# generated using pymatgen data_Y3Cr(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96730279 _cell_length_b 11.05912103 _cell_length_c 12.68111061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Cr(P3Ir4)2 _chemical_formula_sum 'Y6 Cr2 P12 Ir16' _cell_volume 556.38222754 _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 0.51947386 1.0 Y Y1 1 0.50000000 0.00000000 0.48052614 1.0 Y Y2 1 0.50000000 0.81864755 0.20472245 1.0 Y Y3 1 0.50000000 0.18135245 0.20472245 1.0 Y Y4 1 0.00000000 0.68135245 0.79527755 1.0 Y Y5 1 0.00000000 0.31864755 0.79527755 1.0 Cr Cr6 1 0.50000000 0.50000000 0.16050852 1.0 Cr Cr7 1 0.00000000 0.00000000 0.83949148 1.0 P P8 1 0.50000000 0.50000000 0.87550392 1.0 P P9 1 0.00000000 0.00000000 0.12449608 1.0 P P10 1 0.50000000 0.50000000 0.34087238 1.0 P P11 1 0.00000000 0.00000000 0.65912762 1.0 P P12 1 0.50000000 0.31411342 0.61864812 1.0 P P13 1 0.50000000 0.68588658 0.61864812 1.0 P P14 1 0.00000000 0.18588658 0.38135188 1.0 P P15 1 0.00000000 0.81411342 0.38135188 1.0 P P16 1 0.50000000 0.84571978 0.88679118 1.0 P P17 1 0.50000000 0.15428022 0.88679118 1.0 P P18 1 0.00000000 0.65428022 0.11320882 1.0 P P19 1 0.00000000 0.34571978 0.11320882 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69737547 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30262453 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99656420 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00343580 1.0 Ir Ir24 1 0.50000000 0.33178605 0.98209599 1.0 Ir Ir25 1 0.50000000 0.66821395 0.98209599 1.0 Ir Ir26 1 0.00000000 0.16821395 0.01790401 1.0 Ir Ir27 1 0.00000000 0.83178605 0.01790401 1.0 Ir Ir28 1 0.50000000 0.29836140 0.43228869 1.0 Ir Ir29 1 0.50000000 0.70163860 0.43228869 1.0 Ir Ir30 1 0.00000000 0.20163860 0.56771131 1.0 Ir Ir31 1 0.00000000 0.79836140 0.56771131 1.0 Ir Ir32 1 0.50000000 0.87427712 0.71095486 1.0 Ir Ir33 1 0.50000000 0.12572288 0.71095486 1.0 Ir Ir34 1 0.00000000 0.62572288 0.28904514 1.0 Ir Ir35 1 0.00000000 0.37427712 0.28904514 1.0