# generated using pymatgen data_GaN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.82561816 _cell_length_b 11.45205295 _cell_length_c 11.13947311 _cell_angle_alpha 93.25321043 _cell_angle_beta 94.05141030 _cell_angle_gamma 86.68306275 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaN _chemical_formula_sum 'Ga50 N50' _cell_volume 1500.19931849 _cell_formula_units_Z 50 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 Ga Ga0 1 0.05244904 0.70177871 0.65111541 1.0 Ga Ga1 1 0.20190624 0.60298642 0.49034399 1.0 Ga Ga2 1 0.18240694 0.55639077 0.00957943 1.0 Ga Ga3 1 0.83095073 0.82433833 0.57902683 1.0 Ga Ga4 1 0.16569186 0.27235471 0.11455496 1.0 Ga Ga5 1 0.51471836 0.53200806 0.74748202 1.0 Ga Ga6 1 0.49399379 0.82511904 0.79556169 1.0 Ga Ga7 1 0.09009598 0.00829848 0.09528347 1.0 Ga Ga8 1 0.50356472 0.41473922 0.46059209 1.0 Ga Ga9 1 0.85515622 0.07869783 0.19892191 1.0 Ga Ga10 1 0.30186106 0.86880999 0.91601882 1.0 Ga Ga11 1 0.19385560 0.07906886 0.81511946 1.0 Ga Ga12 1 0.70845999 0.38197367 0.91681407 1.0 Ga Ga13 1 0.86832978 0.29441393 0.07264558 1.0 Ga Ga14 1 0.97478487 0.23867840 0.35440476 1.0 Ga Ga15 1 0.41450108 0.06471371 0.79312450 1.0 Ga Ga16 1 0.90411399 0.03636971 0.53268266 1.0 Ga Ga17 1 0.58616928 0.64839871 0.00700728 1.0 Ga Ga18 1 0.63574387 0.57773712 0.39878043 1.0 Ga Ga19 1 0.65513883 0.01070574 0.64610198 1.0 Ga Ga20 1 0.03603380 0.73187664 0.37500946 1.0 Ga Ga21 1 0.60741553 0.73093386 0.23586058 1.0 Ga Ga22 1 0.88845351 0.34471779 0.62314186 1.0 Ga Ga23 1 0.59091270 0.19247786 0.90911794 1.0 Ga Ga24 1 0.36258469 0.26888203 0.32057718 1.0 Ga Ga25 1 0.60665094 0.92882454 0.04243038 1.0 Ga Ga26 1 0.05404243 0.49838605 0.15285800 1.0 Ga Ga27 1 0.92552511 0.53164392 0.42518067 1.0 Ga Ga28 1 0.43277919 0.92266962 0.52523507 1.0 Ga Ga29 1 0.86309664 0.01120577 0.95178056 1.0 Ga Ga30 1 0.94055958 0.54782923 0.85869883 1.0 Ga Ga31 1 0.64679738 0.27061553 0.62450738 1.0 Ga Ga32 1 0.98086369 0.15507311 0.73551417 1.0 Ga Ga33 1 0.14738333 0.39693331 0.50574043 1.0 Ga Ga34 1 0.36635967 0.09611565 0.05900807 1.0 Ga Ga35 1 0.08208943 0.31641347 0.88392608 1.0 Ga Ga36 1 0.60403801 0.75477635 0.55346089 1.0 Ga Ga37 1 0.71878690 0.68739659 0.82904575 1.0 Ga Ga38 1 0.20260649 0.50409307 0.73361331 1.0 Ga Ga39 1 0.82842230 0.55766350 0.18440992 1.0 Ga Ga40 1 0.75986101 0.34311512 0.35923207 1.0 Ga Ga41 1 0.84468076 0.79359104 0.06167777 1.0 Ga Ga42 1 0.92899819 0.83754343 0.81221043 1.0 Ga Ga43 1 0.41702925 0.26987768 0.68477548 1.0 Ga Ga44 1 0.43103753 0.95191554 0.27850102 1.0 Ga Ga45 1 0.36216218 0.64009855 0.95274242 1.0 Ga Ga46 1 0.06492393 0.94681988 0.31133616 1.0 Ga Ga47 1 0.35052746 0.67108967 0.63515375 1.0 Ga Ga48 1 0.76394893 0.59419593 0.62734779 1.0 Ga Ga49 1 0.11214342 0.76602057 0.96505697 1.0 N N50 1 0.26880760 0.09619751 0.52136102 1.0 N N51 1 0.50299091 0.06283014 0.97009283 1.0 N N52 1 0.58442430 0.12054762 0.26799289 1.0 N N53 1 0.94757051 0.06836968 0.36770447 1.0 N N54 1 0.93427188 0.69098434 0.51202166 1.0 N N55 1 0.09878770 0.48596379 0.86456669 1.0 N N56 1 0.77662680 0.50431390 0.33752362 1.0 N N57 1 0.34793542 0.57787827 0.77965413 1.0 N N58 1 0.75309308 0.86405072 0.36433526 1.0 N N59 1 0.25861516 0.75652878 0.16939724 1.0 N N60 1 0.50958475 0.69210254 0.67509435 1.0 N N61 1 0.61116142 0.79473085 0.91766491 1.0 N N62 1 0.12035521 0.26208224 0.28785686 1.0 N N63 1 0.88135253 0.49941678 0.70091721 1.0 N N64 1 0.19781451 0.25841205 0.77114089 1.0 N N65 1 0.19995322 0.29899277 0.36645960 1.0 N N66 1 0.75128499 0.11750077 0.86233731 1.0 N N67 1 0.51984522 0.07314276 0.50657305 1.0 N N68 1 0.98454881 0.37142885 0.48029184 1.0 N N69 1 0.73185949 0.68427167 0.12536226 1.0 N N70 1 0.36108161 0.54224034 0.28815437 1.0 N N71 1 0.34941060 0.49710046 0.19613064 1.0 N N72 1 0.41000934 0.37626247 0.91390742 1.0 N N73 1 0.00561514 0.86224742 0.04840145 1.0 N N74 1 0.16888970 0.86504947 0.58557509 1.0 N N75 1 0.22853167 0.01545387 0.99430620 1.0 N N76 1 0.63981083 0.53627449 0.87362227 1.0 N N77 1 0.53506809 0.86992504 0.17799153 1.0 N N78 1 0.26580927 0.85459206 0.60552292 1.0 N N79 1 0.54126769 0.31967609 0.13153695 1.0 N N80 1 0.50644009 0.17254231 0.54520950 1.0 N N81 1 0.95037472 0.12096151 0.06459063 1.0 N N82 1 0.82487061 0.85132300 0.30169701 1.0 N N83 1 0.83484634 0.25132693 0.23802702 1.0 N N84 1 0.32036025 0.22094229 0.15892826 1.0 N N85 1 0.98253839 0.59308140 0.27744976 1.0 N N86 1 0.29016181 0.77181629 0.26640091 1.0 N N87 1 0.59510653 0.38858807 0.17837433 1.0 N N88 1 0.76682495 0.28317364 0.76274752 1.0 N N89 1 0.91205011 0.45656389 0.06435847 1.0 N N90 1 0.77076429 0.95835766 0.08117027 1.0 N N91 1 0.17413000 0.09202907 0.52513489 1.0 N N92 1 0.66765839 0.10146704 0.32025572 1.0 N N93 1 0.25188157 0.32309354 0.70630341 1.0 N N94 1 0.75511117 0.29657232 0.51464948 1.0 N N95 1 0.51365652 0.39474570 0.63721298 1.0 N N96 1 0.50361736 0.95531782 0.69601773 1.0 N N97 1 0.81118890 0.18515588 0.80702472 1.0 N N98 1 0.33227730 0.36463764 0.96408217 1.0 N N99 1 0.87137702 0.70291850 0.90488556 1.0