# generated using pymatgen data_Zr10Al6O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.27185749 _cell_length_b 14.27185749 _cell_length_c 5.64609300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999764 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr10Al6O _chemical_formula_sum 'Zr30 Al18 O3' _cell_volume 995.95489486 _cell_formula_units_Z 3 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 Zr Zr0 1 0.32297700 0.98375300 0.49470600 1.0 Zr Zr1 1 0.66077600 0.67702300 0.49470600 1.0 Zr Zr2 1 0.01624700 0.33922400 0.49470600 1.0 Zr Zr3 1 0.66077600 0.98375300 0.49470600 1.0 Zr Zr4 1 0.01624700 0.67702300 0.49470600 1.0 Zr Zr5 1 0.32297700 0.33922400 0.49470600 1.0 Zr Zr6 1 0.67461500 0.01615500 0.99485500 1.0 Zr Zr7 1 0.34154000 0.32538500 0.99485500 1.0 Zr Zr8 1 0.98384500 0.65846000 0.99485500 1.0 Zr Zr9 1 0.34154000 0.01615500 0.99485500 1.0 Zr Zr10 1 0.98384500 0.32538500 0.99485500 1.0 Zr Zr11 1 0.67461500 0.65846000 0.99485500 1.0 Zr Zr12 1 0.07854800 0.92145200 0.26076800 1.0 Zr Zr13 1 0.84290300 0.92145200 0.26076800 1.0 Zr Zr14 1 0.07854800 0.15709700 0.26076800 1.0 Zr Zr15 1 0.92274500 0.07725500 0.75357600 1.0 Zr Zr16 1 0.15451000 0.07725500 0.75357600 1.0 Zr Zr17 1 0.92274500 0.84549000 0.75357600 1.0 Zr Zr18 1 0.41140100 0.58859900 0.24574000 1.0 Zr Zr19 1 0.17719800 0.58859900 0.24574000 1.0 Zr Zr20 1 0.41140100 0.82280200 0.24574000 1.0 Zr Zr21 1 0.58870600 0.41129400 0.74215600 1.0 Zr Zr22 1 0.82258800 0.41129400 0.74215600 1.0 Zr Zr23 1 0.58870600 0.17741200 0.74215600 1.0 Zr Zr24 1 0.74394600 0.25605400 0.22857100 1.0 Zr Zr25 1 0.51210800 0.25605400 0.22857100 1.0 Zr Zr26 1 0.74394600 0.48789200 0.22857100 1.0 Zr Zr27 1 0.25573300 0.74426700 0.73001700 1.0 Zr Zr28 1 0.48853300 0.74426700 0.73001700 1.0 Zr Zr29 1 0.25573300 0.51146700 0.73001700 1.0 Al Al30 1 0.86733400 0.13266600 0.27677400 1.0 Al Al31 1 0.26533200 0.13266600 0.27677400 1.0 Al Al32 1 0.86733400 0.73466800 0.27677400 1.0 Al Al33 1 0.13250300 0.86749700 0.78629100 1.0 Al Al34 1 0.73499500 0.86749700 0.78629100 1.0 Al Al35 1 0.13250300 0.26500500 0.78629100 1.0 Al Al36 1 0.20061900 0.79938100 0.19802600 1.0 Al Al37 1 0.59876200 0.79938100 0.19802600 1.0 Al Al38 1 0.20061900 0.40123800 0.19802600 1.0 Al Al39 1 0.79973800 0.20026200 0.69765800 1.0 Al Al40 1 0.40052400 0.20026200 0.69765800 1.0 Al Al41 1 0.79973800 0.59947600 0.69765800 1.0 Al Al42 1 0.53363500 0.46636500 0.25334100 1.0 Al Al43 1 0.93272900 0.46636500 0.25334100 1.0 Al Al44 1 0.53363500 0.06727100 0.25334100 1.0 Al Al45 1 0.46615600 0.53384400 0.75330400 1.0 Al Al46 1 0.06768900 0.53384400 0.75330400 1.0 Al Al47 1 0.46615600 0.93231100 0.75330400 1.0 O O48 1 0.33333300 0.66666700 0.48486300 1.0 O O49 1 0.66666700 0.33333300 0.98516500 1.0 O O50 1 0.00000000 0.00000000 0.50832700 1.0