# generated using pymatgen data_Zr32N17O39 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90022500 _cell_length_b 8.90171455 _cell_length_c 14.58841529 _cell_angle_alpha 90.01026060 _cell_angle_beta 90.00107613 _cell_angle_gamma 110.04736034 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr32N17O39 _chemical_formula_sum 'Zr32 N17 O39' _cell_volume 1085.76977392 _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 Zr Zr0 1 0.89178700 0.61968400 0.89677500 1.0 Zr Zr1 1 0.00395400 0.99302000 0.99996900 1.0 Zr Zr2 1 0.78810500 0.28860000 0.75000000 1.0 Zr Zr3 1 0.50238200 0.50353700 0.99979100 1.0 Zr Zr4 1 0.36096100 0.14729200 0.86254800 1.0 Zr Zr5 1 0.54867100 0.50493100 0.75022800 1.0 Zr Zr6 1 0.64550800 0.86029500 0.86311300 1.0 Zr Zr7 1 0.11565400 0.38830100 0.89422500 1.0 Zr Zr8 1 0.36031200 0.14705000 0.63716000 1.0 Zr Zr9 1 0.89019700 0.61568500 0.60726300 1.0 Zr Zr10 1 0.00394900 0.04719600 0.75034000 1.0 Zr Zr11 1 0.26867800 0.77511000 0.97985700 1.0 Zr Zr12 1 0.77626200 0.27626200 0.47844200 1.0 Zr Zr13 1 0.64706600 0.86079800 0.63723400 1.0 Zr Zr14 1 0.39057700 0.11603500 0.39298800 1.0 Zr Zr15 1 0.78782200 0.28862100 0.25001600 1.0 Zr Zr16 1 0.00235600 0.00208700 0.49997800 1.0 Zr Zr17 1 0.50266200 0.50269600 0.50000800 1.0 Zr Zr18 1 0.28933100 0.78911500 0.75016200 1.0 Zr Zr19 1 0.11623400 0.39043800 0.60692800 1.0 Zr Zr20 1 0.86006900 0.64638900 0.36207600 1.0 Zr Zr21 1 0.04724500 0.00460600 0.24986100 1.0 Zr Zr22 1 0.27569200 0.77598500 0.52147700 1.0 Zr Zr23 1 0.77647300 0.27458800 0.02138200 1.0 Zr Zr24 1 0.61612300 0.89059200 0.39296900 1.0 Zr Zr25 1 0.14702800 0.36033100 0.36263600 1.0 Zr Zr26 1 0.86404800 0.65043300 0.13380800 1.0 Zr Zr27 1 0.39115400 0.11826800 0.10641900 1.0 Zr Zr28 1 0.50542100 0.54748100 0.24965100 1.0 Zr Zr29 1 0.14525500 0.35914600 0.13657800 1.0 Zr Zr30 1 0.28718500 0.78729000 0.25006500 1.0 Zr Zr31 1 0.61714200 0.88996200 0.10567000 1.0 N N32 1 0.86665500 0.36663100 0.88665700 1.0 N N33 1 0.75327100 0.03464800 0.74947700 1.0 N N34 1 0.53406900 0.25405900 0.74960000 1.0 N N35 1 0.22956200 0.00296600 0.74949900 1.0 N N36 1 0.86605900 0.36546700 0.61316200 1.0 N N37 1 0.50317500 0.72952100 0.74974700 1.0 N N38 1 0.64350100 0.14357700 0.36006000 1.0 N N39 1 0.14446400 0.64278900 0.85839700 1.0 N N40 1 0.64362000 0.14375900 0.14014900 1.0 N N41 1 0.14407700 0.64385100 0.64017000 1.0 N N42 1 0.72879700 0.50171800 0.25081800 1.0 N N43 1 0.36533600 0.86537700 0.38667400 1.0 N N44 1 0.00301600 0.22976400 0.25047600 1.0 N N45 1 0.25400300 0.53404700 0.25007500 1.0 N N46 1 0.03426600 0.75416500 0.25094500 1.0 N N47 1 0.36733000 0.86753300 0.11358400 1.0 N N48 1 0.01802500 0.75231300 0.01615600 1.0 O O49 1 0.75044400 0.01716100 0.98379200 1.0 O O50 1 0.51800700 0.25063600 0.98324800 1.0 O O51 1 0.25451900 0.01399800 0.98407700 1.0 O O52 1 0.64639400 0.61356000 0.88002100 1.0 O O53 1 0.80888600 0.55317000 0.74905100 1.0 O O54 1 0.89867500 0.86828400 0.86356300 1.0 O O55 1 0.75104700 0.01771300 0.51616200 1.0 O O56 1 0.11368600 0.14465200 0.87971700 1.0 O O57 1 0.50968000 0.74973100 0.98383400 1.0 O O58 1 0.36829500 0.40074800 0.86643900 1.0 O O59 1 0.90051200 0.86812000 0.63307100 1.0 O O60 1 0.51763200 0.25111100 0.51612600 1.0 O O61 1 0.25014100 0.00953600 0.51624700 1.0 O O62 1 0.64567100 0.61370800 0.61997100 1.0 O O63 1 0.36813900 0.40064200 0.63313300 1.0 O O64 1 0.93216500 0.43191600 0.37244600 1.0 O O65 1 0.43091800 0.93176200 0.87139000 1.0 O O66 1 0.05378900 0.30940400 0.75015700 1.0 O O67 1 0.75000800 0.50950900 0.48380400 1.0 O O68 1 0.11340600 0.14603600 0.62014900 1.0 O O69 1 0.50939000 0.75020400 0.51618200 1.0 O O70 1 0.14606800 0.11340600 0.37983800 1.0 O O71 1 0.93072900 0.42996600 0.12893600 1.0 O O72 1 0.43219700 0.93222400 0.62752700 1.0 O O73 1 0.31020100 0.05389900 0.25021200 1.0 O O74 1 0.40062900 0.36790800 0.36670800 1.0 O O75 1 0.00959700 0.24996700 0.48365000 1.0 O O76 1 0.61307300 0.64603000 0.37976700 1.0 O O77 1 0.86767600 0.90081400 0.36698800 1.0 O O78 1 0.25093400 0.51762500 0.48390500 1.0 O O79 1 0.40072500 0.36838500 0.13339800 1.0 O O80 1 0.14608100 0.11329500 0.12069700 1.0 O O81 1 0.74630100 0.50495600 0.01738100 1.0 O O82 1 0.86664800 0.90306800 0.13606800 1.0 O O83 1 0.01774400 0.75113100 0.48392800 1.0 O O84 1 0.55347400 0.80959600 0.25002100 1.0 O O85 1 0.61421900 0.64658800 0.12020400 1.0 O O86 1 0.00963800 0.25136200 0.01620600 1.0 O O87 1 0.25129700 0.51733100 0.01632000 1.0