# generated using pymatgen data_YbSc2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11569611 _cell_length_b 9.33157989 _cell_length_c 11.02377779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSc2O4 _chemical_formula_sum 'Yb4 Sc8 O16' _cell_volume 320.50936341 _cell_formula_units_Z 4 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 Yb Yb0 1 0.75000000 0.25541839 0.84645027 1.0 Yb Yb1 1 0.25000000 0.74458161 0.15354973 1.0 Yb Yb2 1 0.75000000 0.75541839 0.65354973 1.0 Yb Yb3 1 0.25000000 0.24458161 0.34645027 1.0 Sc Sc4 1 0.25000000 0.58094739 0.89319430 1.0 Sc Sc5 1 0.75000000 0.41905261 0.10680570 1.0 Sc Sc6 1 0.25000000 0.08094739 0.60680570 1.0 Sc Sc7 1 0.75000000 0.91905261 0.39319430 1.0 Sc Sc8 1 0.75000000 0.92934429 0.88716588 1.0 Sc Sc9 1 0.25000000 0.07065571 0.11283412 1.0 Sc Sc10 1 0.75000000 0.42934429 0.61283412 1.0 Sc Sc11 1 0.25000000 0.57065571 0.38716588 1.0 O O12 1 0.25000000 0.58295946 0.57699855 1.0 O O13 1 0.75000000 0.41704054 0.42300145 1.0 O O14 1 0.25000000 0.08295946 0.92300145 1.0 O O15 1 0.75000000 0.91704054 0.07699855 1.0 O O16 1 0.25000000 0.47773369 0.21592214 1.0 O O17 1 0.75000000 0.52226631 0.78407786 1.0 O O18 1 0.25000000 0.97773369 0.28407786 1.0 O O19 1 0.75000000 0.02226631 0.71592214 1.0 O O20 1 0.25000000 0.87300274 0.52625385 1.0 O O21 1 0.75000000 0.12699726 0.47374615 1.0 O O22 1 0.25000000 0.37300274 0.97374615 1.0 O O23 1 0.75000000 0.62699726 0.02625385 1.0 O O24 1 0.75000000 0.70798577 0.32305128 1.0 O O25 1 0.25000000 0.29201423 0.67694872 1.0 O O26 1 0.75000000 0.20798577 0.17694872 1.0 O O27 1 0.25000000 0.79201423 0.82305128 1.0