# generated using pymatgen data_Hf8Ti11ReGe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72255667 _cell_length_b 6.83844813 _cell_length_c 12.99198852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.97962719 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ti11ReGe16 _chemical_formula_sum 'Hf8 Ti11 Re1 Ge16' _cell_volume 597.26577578 _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 Hf Hf0 1 0.49067038 0.67571030 0.59309053 1.0 Hf Hf1 1 0.99077957 0.82461370 0.90677183 1.0 Hf Hf2 1 0.51127527 0.32445536 0.09290608 1.0 Hf Hf3 1 0.01167754 0.17357094 0.40646784 1.0 Hf Hf4 1 0.51127527 0.32445536 0.40709392 1.0 Hf Hf5 1 0.01167754 0.17357094 0.09353216 1.0 Hf Hf6 1 0.49067038 0.67571030 0.90690947 1.0 Hf Hf7 1 0.99077957 0.82461370 0.59322817 1.0 Ti Ti8 1 0.65721788 0.16782026 0.62532004 1.0 Ti Ti9 1 0.15623772 0.33321208 0.87478219 1.0 Ti Ti10 1 0.34391796 0.83433367 0.12584363 1.0 Ti Ti11 1 0.84047410 0.66636190 0.37446190 1.0 Ti Ti12 1 0.34391796 0.83433367 0.37415637 1.0 Ti Ti13 1 0.84047410 0.66636190 0.12553810 1.0 Ti Ti14 1 0.65721788 0.16782026 0.87467996 1.0 Ti Ti15 1 0.15623772 0.33321208 0.62521781 1.0 Ti Ti16 1 0.82986981 0.49599579 0.75000000 1.0 Ti Ti17 1 0.33041275 0.00429004 0.75000000 1.0 Ti Ti18 1 0.16976870 0.50668855 0.25000000 1.0 Re Re19 1 0.66792485 0.99256549 0.25000000 1.0 Ge Ge20 1 0.68370637 0.95857280 0.46027286 1.0 Ge Ge21 1 0.18345057 0.54017676 0.04054445 1.0 Ge Ge22 1 0.31698567 0.04079992 0.95966705 1.0 Ge Ge23 1 0.81694038 0.46002330 0.54052801 1.0 Ge Ge24 1 0.31698567 0.04079992 0.54033295 1.0 Ge Ge25 1 0.81694038 0.46002330 0.95947199 1.0 Ge Ge26 1 0.68370637 0.95857280 0.03972714 1.0 Ge Ge27 1 0.18345057 0.54017676 0.45945555 1.0 Ge Ge28 1 0.45877283 0.38071291 0.75000000 1.0 Ge Ge29 1 0.95873204 0.12053522 0.75000000 1.0 Ge Ge30 1 0.53878612 0.61683146 0.25000000 1.0 Ge Ge31 1 0.03892318 0.88041277 0.25000000 1.0 Ge Ge32 1 0.68930273 0.85551645 0.75000000 1.0 Ge Ge33 1 0.18885435 0.64520494 0.75000000 1.0 Ge Ge34 1 0.30949428 0.14775786 0.25000000 1.0 Ge Ge35 1 0.81249053 0.35419052 0.25000000 1.0