# generated using pymatgen data_PrAl22O34 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65509100 _cell_length_b 9.78334200 _cell_length_c 11.87346466 _cell_angle_alpha 74.08284497 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrAl22O34 _chemical_formula_sum 'Pr1 Al22 O34' _cell_volume 631.72127929 _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 Pr Pr0 1 0.00000000 0.69329700 0.47919900 1.0 Al Al1 1 0.50000000 0.09582800 0.21666500 1.0 Al Al2 1 0.00000000 0.15054000 0.04882700 1.0 Al Al3 1 0.00000000 0.04887300 0.35337300 1.0 Al Al4 1 0.25120300 0.34403000 0.21459900 1.0 Al Al5 1 0.24731700 0.15557900 0.78386200 1.0 Al Al6 1 0.75268300 0.15557900 0.78386200 1.0 Al Al7 1 0.50000000 0.35061600 0.94925800 1.0 Al Al8 1 0.50000000 0.64986600 0.04846000 1.0 Al Al9 1 0.50000000 0.45066400 0.64967500 1.0 Al Al10 1 0.50000000 0.54880500 0.35260600 1.0 Al Al11 1 0.74879700 0.34403000 0.21459900 1.0 Al Al12 1 0.00000000 0.40177500 0.78721600 1.0 Al Al13 1 0.00000000 0.59689700 0.20882700 1.0 Al Al14 1 0.25330800 0.65521400 0.78837100 1.0 Al Al15 1 0.00000000 0.49973300 0.00000900 1.0 Al Al16 1 0.25048400 0.84778200 0.20820000 1.0 Al Al17 1 0.74951600 0.84778200 0.20820000 1.0 Al Al18 1 0.50000000 0.90428100 0.78434000 1.0 Al Al19 1 0.74669200 0.65521400 0.78837100 1.0 Al Al20 1 0.00000000 0.94882800 0.64827300 1.0 Al Al21 1 0.00000000 0.85040900 0.94743700 1.0 Al Al22 1 0.50000000 0.00162500 0.99819500 1.0 O O23 1 0.26231500 0.04350600 0.09981100 1.0 O O24 1 0.73768500 0.04350600 0.09981100 1.0 O O25 1 0.50000000 0.29667000 0.11085400 1.0 O O26 1 0.50000000 0.09433800 0.71769400 1.0 O O27 1 0.24872500 0.15323300 0.29005500 1.0 O O28 1 0.50000000 0.19034500 0.90172000 1.0 O O29 1 0.50000000 0.40567300 0.28790900 1.0 O O30 1 0.75127500 0.15323300 0.29005500 1.0 O O31 1 0.00000000 0.09679400 0.70833500 1.0 O O32 1 0.00000000 0.31057500 0.09837100 1.0 O O33 1 0.50000000 0.52690700 0.50093600 1.0 O O34 1 0.23419500 0.54799600 0.09912400 1.0 O O35 1 0.24749300 0.34663600 0.71051000 1.0 O O36 1 0.00000000 0.40741900 0.28150300 1.0 O O37 1 0.00000000 0.20332800 0.88871300 1.0 O O38 1 0.76580500 0.54799600 0.09912400 1.0 O O39 1 0.75250700 0.34663600 0.71051000 1.0 O O40 1 0.23853100 0.65540500 0.29585300 1.0 O O41 1 0.50000000 0.59679600 0.71345300 1.0 O O42 1 0.23340900 0.45591300 0.89993500 1.0 O O43 1 0.50000000 0.80771200 0.10111000 1.0 O O44 1 0.00000000 0.79591200 0.10996100 1.0 O O45 1 0.00000000 0.59692700 0.71084300 1.0 O O46 1 0.50000000 0.70334300 0.89010700 1.0 O O47 1 0.50000000 0.90474400 0.28156400 1.0 O O48 1 0.76146900 0.65540500 0.29585300 1.0 O O49 1 0.76659100 0.45591300 0.89993500 1.0 O O50 1 0.00000000 0.68853300 0.89966200 1.0 O O51 1 0.00000000 0.89600300 0.29223400 1.0 O O52 1 0.25012700 0.84467600 0.71227600 1.0 O O53 1 0.00000000 0.95269100 0.50023100 1.0 O O54 1 0.74987300 0.84467600 0.71227600 1.0 O O55 1 0.26474000 0.95396200 0.90157700 1.0 O O56 1 0.73526000 0.95396200 0.90157700 1.0