# generated using pymatgen data_YbAl2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83762415 _cell_length_b 8.80487938 _cell_length_c 10.22123163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbAl2O4 _chemical_formula_sum 'Yb4 Al8 O16' _cell_volume 255.37684241 _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 0.25000000 0.24206486 0.34417747 1.0 Yb Yb1 1 0.75000000 0.75793514 0.65582253 1.0 Yb Yb2 1 0.25000000 0.74206486 0.15582253 1.0 Yb Yb3 1 0.75000000 0.25793514 0.84417747 1.0 Al Al4 1 0.25000000 0.58193800 0.89685655 1.0 Al Al5 1 0.75000000 0.41806200 0.10314345 1.0 Al Al6 1 0.25000000 0.08193800 0.60314345 1.0 Al Al7 1 0.75000000 0.91806200 0.39685655 1.0 Al Al8 1 0.25000000 0.56189587 0.38853231 1.0 Al Al9 1 0.75000000 0.43810413 0.61146769 1.0 Al Al10 1 0.25000000 0.06189587 0.11146769 1.0 Al Al11 1 0.75000000 0.93810413 0.88853231 1.0 O O12 1 0.25000000 0.57978220 0.57234584 1.0 O O13 1 0.75000000 0.42021780 0.42765416 1.0 O O14 1 0.25000000 0.07978220 0.92765416 1.0 O O15 1 0.75000000 0.92021780 0.07234584 1.0 O O16 1 0.25000000 0.47396694 0.21586386 1.0 O O17 1 0.75000000 0.52603306 0.78413614 1.0 O O18 1 0.25000000 0.97396694 0.28413614 1.0 O O19 1 0.75000000 0.02603306 0.71586386 1.0 O O20 1 0.25000000 0.88389706 0.52090264 1.0 O O21 1 0.75000000 0.11610294 0.47909736 1.0 O O22 1 0.25000000 0.38389706 0.97909736 1.0 O O23 1 0.75000000 0.61610294 0.02090264 1.0 O O24 1 0.75000000 0.70365502 0.34414716 1.0 O O25 1 0.25000000 0.29634498 0.65585284 1.0 O O26 1 0.75000000 0.20365502 0.15585284 1.0 O O27 1 0.25000000 0.79634498 0.84414716 1.0