# generated using pymatgen data_HfTa5(GaRu2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36285151 _cell_length_b 6.16723671 _cell_length_c 13.09059161 _cell_angle_alpha 89.99966688 _cell_angle_beta 89.99964110 _cell_angle_gamma 89.99990864 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTa5(GaRu2)6 _chemical_formula_sum 'Hf1 Ta5 Ga6 Ru12' _cell_volume 352.22511875 _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 0.50008939 0.49999628 0.83333907 1.0 Ta Ta1 1 0.99999589 0.00000649 0.00005775 1.0 Ta Ta2 1 0.49994720 0.49998761 0.16650504 1.0 Ta Ta3 1 0.99993127 0.00001022 0.33335470 1.0 Ta Ta4 1 0.50000502 0.49998606 0.50016018 1.0 Ta Ta5 1 0.00006183 0.00001694 0.66658376 1.0 Ga Ga6 1 0.99999985 0.49998345 0.99917703 1.0 Ga Ga7 1 0.49988750 0.00000846 0.16751108 1.0 Ga Ga8 1 0.99987655 0.49999911 0.33329864 1.0 Ga Ga9 1 0.50000250 0.99998375 0.49914840 1.0 Ga Ga10 1 0.00010796 0.50001336 0.66748550 1.0 Ga Ga11 1 0.50011725 0.00000178 0.83331305 1.0 Ru Ru12 1 0.49999566 0.24757321 0.00304550 1.0 Ru Ru13 1 0.49999071 0.75243191 0.00304634 1.0 Ru Ru14 1 0.99991684 0.25052196 0.16767530 1.0 Ru Ru15 1 0.99990862 0.74947478 0.16767464 1.0 Ru Ru16 1 0.49991464 0.24984370 0.33334626 1.0 Ru Ru17 1 0.49989859 0.75015245 0.33334812 1.0 Ru Ru18 1 0.00000400 0.25052872 0.49900454 1.0 Ru Ru19 1 0.00000132 0.74946814 0.49900601 1.0 Ru Ru20 1 0.50008580 0.24755293 0.66362770 1.0 Ru Ru21 1 0.50008230 0.75244779 0.66362869 1.0 Ru Ru22 1 0.00009104 0.24387646 0.83333257 1.0 Ru Ru23 1 0.00009229 0.75613045 0.83333215 1.0