# generated using pymatgen data_Er5Tm2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.62223273 _cell_length_b 12.91142308 _cell_length_c 3.94688882 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.26180445 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Tm2P12Ir17 _chemical_formula_sum 'Er5 Tm2 P12 Ir17' _cell_volume 561.14941625 _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 Er Er0 1 0.33028902 0.66226004 0.50000000 1.0 Er Er1 1 0.66803098 0.33773996 0.50000000 1.0 Er Er2 1 0.00277802 0.81723863 0.00000000 1.0 Er Er3 1 0.18553939 0.18276137 0.00000000 1.0 Er Er4 1 0.81128843 0.00000000 0.00000000 1.0 Tm Tm5 1 0.99547706 0.44380953 0.50000000 1.0 Tm Tm6 1 0.55166653 0.55619047 0.50000000 1.0 P P7 1 0.01032757 0.65964766 0.50000000 1.0 P P8 1 0.35068091 0.34035234 0.50000000 1.0 P P9 1 0.64482604 0.00000000 0.50000000 1.0 P P10 1 0.51696300 0.69214995 0.00000000 1.0 P P11 1 0.30892659 0.82411858 0.00000000 1.0 P P12 1 0.16716302 0.48088276 0.00000000 1.0 P P13 1 0.48480701 0.17588142 0.00000000 1.0 P P14 1 0.68628126 0.51911724 0.00000000 1.0 P P15 1 0.82481305 0.30785005 0.00000000 1.0 P P16 1 0.99976245 0.17427858 0.50000000 1.0 P P17 1 0.82548387 0.82572142 0.50000000 1.0 P P18 1 0.18120517 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50359059 0.86590307 0.00000000 1.0 Ir Ir20 1 0.12172242 0.64454374 0.00000000 1.0 Ir Ir21 1 0.35887870 0.50501969 0.00000000 1.0 Ir Ir22 1 0.47717968 0.35545626 0.00000000 1.0 Ir Ir23 1 0.85386001 0.49498031 0.00000000 1.0 Ir Ir24 1 0.63768751 0.13409693 0.00000000 1.0 Ir Ir25 1 0.46574042 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99635743 0.27122615 0.00000000 1.0 Ir Ir27 1 0.72513128 0.72877385 0.00000000 1.0 Ir Ir28 1 0.28554617 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62498183 0.81141552 0.50000000 1.0 Ir Ir30 1 0.20807539 0.82835423 0.50000000 1.0 Ir Ir31 1 0.18099277 0.36369083 0.50000000 1.0 Ir Ir32 1 0.37972116 0.17164577 0.50000000 1.0 Ir Ir33 1 0.81730194 0.63630917 0.50000000 1.0 Ir Ir34 1 0.81356532 0.18858448 0.50000000 1.0 Ir Ir35 1 0.00335698 0.00000000 0.50000000 1.0