# generated using pymatgen data_Hf8Ta12Si3Ge13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75692236 _cell_length_b 6.87940705 _cell_length_c 13.12846602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.90973065 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ta12Si3Ge13 _chemical_formula_sum 'Hf8 Ta12 Si3 Ge13' _cell_volume 610.25785986 _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 0.48654070 0.67162850 0.59320241 1.0 Hf Hf1 1 0.98604572 0.82838864 0.90638558 1.0 Hf Hf2 1 0.51340711 0.32866319 0.09191474 1.0 Hf Hf3 1 0.01473002 0.17502840 0.40819556 1.0 Hf Hf4 1 0.51340711 0.32866319 0.40808526 1.0 Hf Hf5 1 0.01473002 0.17502840 0.09180444 1.0 Hf Hf6 1 0.48654070 0.67162850 0.90679759 1.0 Hf Hf7 1 0.98604572 0.82838864 0.59361442 1.0 Ta Ta8 1 0.65546396 0.17147667 0.62609923 1.0 Ta Ta9 1 0.15561727 0.32852308 0.87412689 1.0 Ta Ta10 1 0.34863950 0.82766693 0.12518021 1.0 Ta Ta11 1 0.83900613 0.66755967 0.37494905 1.0 Ta Ta12 1 0.34863950 0.82766693 0.37481979 1.0 Ta Ta13 1 0.83900613 0.66755967 0.12505095 1.0 Ta Ta14 1 0.65546396 0.17147667 0.87390077 1.0 Ta Ta15 1 0.15561727 0.32852308 0.62587311 1.0 Ta Ta16 1 0.82829373 0.49097379 0.75000000 1.0 Ta Ta17 1 0.32756473 0.00941965 0.75000000 1.0 Ta Ta18 1 0.17196284 0.50745758 0.25000000 1.0 Ta Ta19 1 0.66873294 0.99013603 0.25000000 1.0 Si Si20 1 0.45378142 0.38684804 0.75000000 1.0 Si Si21 1 0.95390642 0.11327249 0.75000000 1.0 Si Si22 1 0.54471269 0.61113632 0.25000000 1.0 Ge Ge23 1 0.68568613 0.96504195 0.46135060 1.0 Ge Ge24 1 0.18249649 0.53734260 0.03896449 1.0 Ge Ge25 1 0.31696424 0.03545239 0.96111334 1.0 Ge Ge26 1 0.81659496 0.46412976 0.53975917 1.0 Ge Ge27 1 0.31696424 0.03545239 0.53888666 1.0 Ge Ge28 1 0.81659496 0.46412976 0.96024083 1.0 Ge Ge29 1 0.68568613 0.96504195 0.03864940 1.0 Ge Ge30 1 0.18249649 0.53734260 0.46103551 1.0 Ge Ge31 1 0.04443004 0.88776077 0.25000000 1.0 Ge Ge32 1 0.69233407 0.85380089 0.75000000 1.0 Ge Ge33 1 0.19282081 0.64632057 0.75000000 1.0 Ge Ge34 1 0.31150775 0.14948723 0.25000000 1.0 Ge Ge35 1 0.80756511 0.35158510 0.25000000 1.0