# generated using pymatgen data_Y5Nb3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70330280 _cell_length_b 12.70330254 _cell_length_c 3.97822469 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999813 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Nb3(P3Ir4)4 _chemical_formula_sum 'Y5 Nb3 P12 Ir16' _cell_volume 555.97240927 _cell_formula_units_Z 1 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 0.33333300 0.66666700 0.50000000 1.0 Y Y1 1 0.66666700 0.33333300 0.50000000 1.0 Y Y2 1 0.00000000 0.81426294 0.00000000 1.0 Y Y3 1 0.18573706 0.18573706 0.00000000 1.0 Y Y4 1 0.81426294 0.00000000 0.00000000 1.0 Nb Nb5 1 0.00000000 0.45175993 0.50000000 1.0 Nb Nb6 1 0.54824007 0.54824007 0.50000000 1.0 Nb Nb7 1 0.45175993 0.00000000 0.50000000 1.0 P P8 1 0.00000000 0.64220529 0.50000000 1.0 P P9 1 0.35779471 0.35779471 0.50000000 1.0 P P10 1 0.64220529 0.00000000 0.50000000 1.0 P P11 1 0.51727081 0.68460000 0.00000000 1.0 P P12 1 0.31540000 0.83267182 0.00000000 1.0 P P13 1 0.16732818 0.48272919 0.00000000 1.0 P P14 1 0.48272919 0.16732818 0.00000000 1.0 P P15 1 0.68460000 0.51727081 0.00000000 1.0 P P16 1 0.83267182 0.31540000 0.00000000 1.0 P P17 1 1.00000000 0.17666731 0.50000000 1.0 P P18 1 0.82333269 0.82333269 0.50000000 1.0 P P19 1 0.17666731 1.00000000 0.50000000 1.0 Ir Ir20 1 0.50740230 0.86313858 0.00000000 1.0 Ir Ir21 1 0.13686142 0.64426472 0.00000000 1.0 Ir Ir22 1 0.35573528 0.49259770 0.00000000 1.0 Ir Ir23 1 0.49259770 0.35573528 0.00000000 1.0 Ir Ir24 1 0.86313858 0.50740230 0.00000000 1.0 Ir Ir25 1 0.64426472 0.13686142 0.00000000 1.0 Ir Ir26 1 1.00000000 0.28266539 0.00000000 1.0 Ir Ir27 1 0.71733461 0.71733461 0.00000000 1.0 Ir Ir28 1 0.28266539 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62767368 0.80578949 0.50000000 1.0 Ir Ir30 1 0.19421051 0.82188319 0.50000000 1.0 Ir Ir31 1 0.17811681 0.37232632 0.50000000 1.0 Ir Ir32 1 0.37232632 0.17811681 0.50000000 1.0 Ir Ir33 1 0.80578949 0.62767368 0.50000000 1.0 Ir Ir34 1 0.82188319 0.19421051 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0