# generated using pymatgen data_Hf(ScGa2)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74094242 _cell_length_b 9.16807174 _cell_length_c 10.91496806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf(ScGa2)5 _chemical_formula_sum 'Hf2 Sc10 Ga20' _cell_volume 574.49157386 _cell_formula_units_Z 2 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 0.85790286 0.75000000 0.06993994 1.0 Hf Hf1 1 0.64209714 0.75000000 0.56993994 1.0 Sc Sc2 1 0.15171593 0.25000000 0.92997572 1.0 Sc Sc3 1 0.34828407 0.25000000 0.42997572 1.0 Sc Sc4 1 0.88860905 0.50707815 0.35395938 1.0 Sc Sc5 1 0.61139095 0.99292185 0.85395938 1.0 Sc Sc6 1 0.10807038 0.00677767 0.64656270 1.0 Sc Sc7 1 0.39192962 0.49322233 0.14656270 1.0 Sc Sc8 1 0.10807038 0.49322233 0.64656270 1.0 Sc Sc9 1 0.39192962 0.00677767 0.14656270 1.0 Sc Sc10 1 0.88860905 0.99292185 0.35395938 1.0 Sc Sc11 1 0.61139095 0.50707815 0.85395938 1.0 Ga Ga12 1 0.87658508 0.04922640 0.09355405 1.0 Ga Ga13 1 0.62341492 0.45077360 0.59355405 1.0 Ga Ga14 1 0.12734693 0.55292907 0.90676092 1.0 Ga Ga15 1 0.37265307 0.94707093 0.40676092 1.0 Ga Ga16 1 0.12734693 0.94707093 0.90676092 1.0 Ga Ga17 1 0.37265307 0.55292907 0.40676092 1.0 Ga Ga18 1 0.87658508 0.45077360 0.09355405 1.0 Ga Ga19 1 0.62341492 0.04922640 0.59355405 1.0 Ga Ga20 1 0.16403773 0.75000000 0.25213358 1.0 Ga Ga21 1 0.33596227 0.75000000 0.75213358 1.0 Ga Ga22 1 0.83756418 0.25000000 0.74902045 1.0 Ga Ga23 1 0.66243582 0.25000000 0.24902045 1.0 Ga Ga24 1 0.39036840 0.75000000 0.00571117 1.0 Ga Ga25 1 0.10963160 0.75000000 0.50571117 1.0 Ga Ga26 1 0.61867423 0.25000000 0.99477255 1.0 Ga Ga27 1 0.88132577 0.25000000 0.49477255 1.0 Ga Ga28 1 0.61877929 0.75000000 0.29235852 1.0 Ga Ga29 1 0.88122071 0.75000000 0.79235852 1.0 Ga Ga30 1 0.38231391 0.25000000 0.70441298 1.0 Ga Ga31 1 0.11768609 0.25000000 0.20441298 1.0