# generated using pymatgen data_Tm8Hf11ZrSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22157578 _cell_length_b 7.22157682 _cell_length_c 13.22999445 _cell_angle_alpha 90.00936413 _cell_angle_beta 89.99063535 _cell_angle_gamma 89.98710072 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Hf11ZrSi16 _chemical_formula_sum 'Tm8 Hf11 Zr1 Si16' _cell_volume 689.95957779 _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 0.99554875 0.34427305 0.21490995 1.0 Tm Tm1 1 0.00440337 0.65606392 0.71485548 1.0 Tm Tm2 1 0.15587116 0.49537008 0.46499818 1.0 Tm Tm3 1 0.50402275 0.84440994 0.03502515 1.0 Tm Tm4 1 0.84440994 0.50402275 0.96497485 1.0 Tm Tm5 1 0.49537008 0.15587116 0.53500182 1.0 Tm Tm6 1 0.34427305 0.99554875 0.78509005 1.0 Tm Tm7 1 0.65606392 0.00440337 0.28514452 1.0 Hf Hf8 1 0.82457605 0.82457605 0.50000000 1.0 Hf Hf9 1 0.32466207 0.67541035 0.25025608 1.0 Hf Hf10 1 0.67541035 0.32466207 0.74974392 1.0 Hf Hf11 1 0.14681118 0.99674486 0.37465346 1.0 Hf Hf12 1 0.85336428 0.00312029 0.87421564 1.0 Hf Hf13 1 0.50313127 0.64707569 0.62435075 1.0 Hf Hf14 1 0.35324473 0.49653726 0.87575174 1.0 Hf Hf15 1 0.49653726 0.35324473 0.12424826 1.0 Hf Hf16 1 0.64707569 0.50313127 0.37564925 1.0 Hf Hf17 1 0.99674486 0.14681118 0.62534654 1.0 Hf Hf18 1 0.00312029 0.85336428 0.12578436 1.0 Zr Zr19 1 0.17521346 0.17521346 0.00000000 1.0 Si Si20 1 0.35887640 0.29583802 0.31777144 1.0 Si Si21 1 0.64128881 0.70413698 0.81760943 1.0 Si Si22 1 0.20432513 0.85864073 0.56773969 1.0 Si Si23 1 0.14055639 0.79402368 0.93210856 1.0 Si Si24 1 0.79402368 0.14055639 0.06789144 1.0 Si Si25 1 0.85864073 0.20432513 0.43226031 1.0 Si Si26 1 0.29583802 0.35887640 0.68222856 1.0 Si Si27 1 0.70413698 0.64128881 0.18239057 1.0 Si Si28 1 0.29845685 0.04805747 0.18706390 1.0 Si Si29 1 0.70206431 0.95149325 0.68581422 1.0 Si Si30 1 0.45165569 0.79788241 0.43597289 1.0 Si Si31 1 0.20253822 0.55030913 0.06419321 1.0 Si Si32 1 0.55030913 0.20253822 0.93580679 1.0 Si Si33 1 0.79788241 0.45165569 0.56402711 1.0 Si Si34 1 0.04805747 0.29845685 0.81293610 1.0 Si Si35 1 0.95149325 0.70206431 0.31418578 1.0