# generated using pymatgen data_PrAl22O34 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81432700 _cell_length_b 11.30103201 _cell_length_c 11.80841927 _cell_angle_alpha 103.84135879 _cell_angle_beta 98.04262887 _cell_angle_gamma 89.99822551 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrAl22O34 _chemical_formula_sum 'Pr2 Al44 O68' _cell_volume 1258.39484176 _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 Pr Pr0 1 0.00000000 0.50000000 0.50000000 1.0 Pr Pr1 1 0.50000000 0.00000000 0.50000000 1.0 Al Al2 1 0.00076000 0.75111800 0.00217900 1.0 Al Al3 1 0.95002100 0.42737500 0.20516700 1.0 Al Al4 1 0.95294600 0.67830400 0.21657200 1.0 Al Al5 1 0.99924000 0.24888200 0.99782100 1.0 Al Al6 1 0.82373300 0.48751000 0.94919800 1.0 Al Al7 1 0.77217100 0.41070400 0.64895400 1.0 Al Al8 1 0.72235900 0.33633700 0.35128500 1.0 Al Al9 1 0.45034800 0.17988800 0.21661400 1.0 Al Al10 1 0.70324500 0.05301300 0.21603800 1.0 Al Al11 1 0.95189800 0.92983700 0.21635400 1.0 Al Al12 1 0.95070600 0.17828800 0.21584800 1.0 Al Al13 1 0.50000000 0.00000000 0.00000000 1.0 Al Al14 1 0.67423800 0.26190600 0.05139900 1.0 Al Al15 1 0.82614900 0.98605800 0.94970000 1.0 Al Al16 1 0.55010700 0.07473100 0.79440100 1.0 Al Al17 1 0.79569000 0.19523400 0.78308500 1.0 Al Al18 1 0.77788200 0.91072200 0.64863700 1.0 Al Al19 1 0.72752300 0.83625300 0.35107000 1.0 Al Al20 1 0.20431000 0.80476600 0.21691500 1.0 Al Al21 1 0.45325600 0.67971900 0.21583100 1.0 Al Al22 1 0.70406600 0.55353700 0.21671600 1.0 Al Al23 1 0.44989300 0.92526900 0.20559900 1.0 Al Al24 1 0.50000000 0.50000000 0.00000000 1.0 Al Al25 1 0.67584800 0.76219000 0.04974600 1.0 Al Al26 1 0.32576200 0.73809400 0.94860100 1.0 Al Al27 1 0.54794500 0.57172800 0.78418200 1.0 Al Al28 1 0.54965200 0.82011200 0.78338600 1.0 Al Al29 1 0.29675500 0.94698700 0.78396200 1.0 Al Al30 1 0.79700900 0.69496900 0.78424500 1.0 Al Al31 1 0.27764100 0.66366300 0.64871500 1.0 Al Al32 1 0.22782900 0.58929600 0.35104600 1.0 Al Al33 1 0.20299100 0.30503100 0.21575500 1.0 Al Al34 1 0.45205500 0.42827200 0.21581800 1.0 Al Al35 1 0.17626700 0.51249000 0.05080200 1.0 Al Al36 1 0.32415200 0.23781000 0.95025400 1.0 Al Al37 1 0.04705400 0.32169600 0.78342800 1.0 Al Al38 1 0.04997900 0.57262500 0.79483300 1.0 Al Al39 1 0.29593400 0.44646300 0.78328400 1.0 Al Al40 1 0.54674400 0.32028100 0.78416900 1.0 Al Al41 1 0.27247700 0.16374700 0.64893000 1.0 Al Al42 1 0.22211800 0.08927800 0.35136300 1.0 Al Al43 1 0.17385100 0.01394200 0.05030000 1.0 Al Al44 1 0.04929400 0.82171200 0.78415200 1.0 Al Al45 1 0.04810200 0.07016300 0.78364600 1.0 O O46 1 0.95499500 0.67474500 0.71276300 1.0 O O47 1 0.85147100 0.52793400 0.11100000 1.0 O O48 1 0.90465500 0.34359300 0.89883800 1.0 O O49 1 0.90668200 0.60731800 0.90077300 1.0 O O50 1 0.95174200 0.17894400 0.71573200 1.0 O O51 1 0.69934400 0.30041200 0.70852300 1.0 O O52 1 0.95481100 0.43019200 0.70616400 1.0 O O53 1 0.78158500 0.39090900 0.50013300 1.0 O O54 1 0.79673000 0.19650800 0.28895000 1.0 O O55 1 0.80484500 0.44917000 0.29391900 1.0 O O56 1 0.85199900 0.02723500 0.11084000 1.0 O O57 1 0.59386500 0.14161400 0.10134500 1.0 O O58 1 0.85946500 0.27564700 0.09888000 1.0 O O59 1 0.40629600 0.09317200 0.90052900 1.0 O O60 1 0.90705900 0.84125400 0.89924700 1.0 O O61 1 0.64066800 0.97584400 0.90064600 1.0 O O62 1 0.90287500 0.10657100 0.89873600 1.0 O O63 1 0.64818900 0.22188300 0.88953600 1.0 O O64 1 0.45494800 0.93157900 0.71253300 1.0 O O65 1 0.70371300 0.80182700 0.71067500 1.0 O O66 1 0.69519400 0.05226400 0.70585700 1.0 O O67 1 0.45495600 0.17293700 0.70623200 1.0 O O68 1 0.95396400 0.92625000 0.70785400 1.0 O O69 1 0.71836700 0.89104900 0.49987500 1.0 O O70 1 0.54504400 0.82706300 0.29376800 1.0 O O71 1 0.30480600 0.94773600 0.29414300 1.0 O O72 1 0.80027600 0.69614400 0.29187500 1.0 O O73 1 0.79832500 0.94673800 0.28912800 1.0 O O74 1 0.54505200 0.06842100 0.28746700 1.0 O O75 1 0.35181100 0.77811700 0.11046400 1.0 O O76 1 0.59440900 0.64417900 0.10058600 1.0 O O77 1 0.59370400 0.90682800 0.09947100 1.0 O O78 1 0.86013800 0.77453400 0.09940100 1.0 O O79 1 0.35933200 0.02415600 0.09935400 1.0 O O80 1 0.14053500 0.72435300 0.90112000 1.0 O O81 1 0.40333100 0.59268300 0.89885600 1.0 O O82 1 0.63964000 0.47526000 0.90110900 1.0 O O83 1 0.40613500 0.85838600 0.89865500 1.0 O O84 1 0.64836800 0.72249100 0.88869200 1.0 O O85 1 0.45182100 0.42893800 0.71589100 1.0 O O86 1 0.19515500 0.55083000 0.70608100 1.0 O O87 1 0.20327000 0.80349200 0.71105000 1.0 O O88 1 0.70165300 0.55213800 0.71127700 1.0 O O89 1 0.45383200 0.67763800 0.70781800 1.0 O O90 1 0.21841500 0.60909100 0.49986700 1.0 O O91 1 0.04518900 0.56980800 0.29383600 1.0 O O92 1 0.29834700 0.44786200 0.28872300 1.0 O O93 1 0.54616800 0.32236200 0.29218200 1.0 O O94 1 0.30065600 0.69958800 0.29147700 1.0 O O95 1 0.54817900 0.57106200 0.28410900 1.0 O O96 1 0.35163200 0.27750900 0.11130800 1.0 O O97 1 0.09331800 0.39268200 0.09922700 1.0 O O98 1 0.09534500 0.65640700 0.10116200 1.0 O O99 1 0.36036000 0.52474000 0.09889100 1.0 O O100 1 0.59666900 0.40731700 0.10114400 1.0 O O101 1 0.13986200 0.22546600 0.90059900 1.0 O O102 1 0.40559100 0.35582100 0.89941400 1.0 O O103 1 0.14852900 0.47206600 0.88900000 1.0 O O104 1 0.20167500 0.05326200 0.71087200 1.0 O O105 1 0.19972400 0.30385600 0.70812500 1.0 O O106 1 0.28163300 0.10895100 0.50012500 1.0 O O107 1 0.04603600 0.07375000 0.29214600 1.0 O O108 1 0.29628700 0.19817300 0.28932500 1.0 O O109 1 0.04500500 0.32525500 0.28723700 1.0 O O110 1 0.09712500 0.89342900 0.10126400 1.0 O O111 1 0.09294100 0.15874600 0.10075300 1.0 O O112 1 0.14800100 0.97276500 0.88916000 1.0 O O113 1 0.04825800 0.82105600 0.28426800 1.0