# generated using pymatgen data_Tm5Mg2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.54106148 _cell_length_b 12.76454499 _cell_length_c 3.93421554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.42251080 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Mg2P12Ir17 _chemical_formula_sum 'Tm5 Mg2 P12 Ir17' _cell_volume 548.56279392 _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 Tm Tm0 1 0.33135724 0.66136731 0.50000000 1.0 Tm Tm1 1 0.66998892 0.33863269 0.50000000 1.0 Tm Tm2 1 0.00275928 0.81470210 0.00000000 1.0 Tm Tm3 1 0.18805617 0.18529790 0.00000000 1.0 Tm Tm4 1 0.81178868 0.00000000 0.00000000 1.0 Mg Mg5 1 0.99554916 0.44287916 0.50000000 1.0 Mg Mg6 1 0.55266900 0.55712084 0.50000000 1.0 P P7 1 0.00431986 0.64525697 0.50000000 1.0 P P8 1 0.35906289 0.35474303 0.50000000 1.0 P P9 1 0.64227212 1.00000000 0.50000000 1.0 P P10 1 0.51459037 0.68702533 0.00000000 1.0 P P11 1 0.30678968 0.82146610 0.00000000 1.0 P P12 1 0.16706734 0.48085981 0.00000000 1.0 P P13 1 0.48532258 0.17853390 0.00000000 1.0 P P14 1 0.68620853 0.51914019 0.00000000 1.0 P P15 1 0.82756403 0.31297467 0.00000000 1.0 P P16 1 0.99872720 0.17454123 0.50000000 1.0 P P17 1 0.82418597 0.82545877 0.50000000 1.0 P P18 1 0.17958809 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50249539 0.86343494 0.00000000 1.0 Ir Ir20 1 0.12575045 0.63918421 0.00000000 1.0 Ir Ir21 1 0.35797578 0.49730750 0.00000000 1.0 Ir Ir22 1 0.48656724 0.36081579 0.00000000 1.0 Ir Ir23 1 0.86067028 0.50269250 0.00000000 1.0 Ir Ir24 1 0.63906145 0.13656506 0.00000000 1.0 Ir Ir25 1 0.46186929 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99669714 0.27862497 0.00000000 1.0 Ir Ir27 1 0.71807217 0.72137503 0.00000000 1.0 Ir Ir28 1 0.28882703 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62623829 0.81104949 0.50000000 1.0 Ir Ir30 1 0.20164501 0.82502285 0.50000000 1.0 Ir Ir31 1 0.17818139 0.36364908 0.50000000 1.0 Ir Ir32 1 0.37662216 0.17497715 0.50000000 1.0 Ir Ir33 1 0.81453131 0.63635092 0.50000000 1.0 Ir Ir34 1 0.81518881 0.18895051 0.50000000 1.0 Ir Ir35 1 0.00173971 0.00000000 0.50000000 1.0