# generated using pymatgen data_GaN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.07800722 _cell_length_b 15.26221636 _cell_length_c 12.37341840 _cell_angle_alpha 89.49629999 _cell_angle_beta 93.88745740 _cell_angle_gamma 86.99051653 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaN _chemical_formula_sum 'Ga50 N50' _cell_volume 2460.45677421 _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 0.81910805 0.57269536 0.32979305 1.0 Ga Ga1 1 0.14265875 0.90506299 0.61900490 1.0 Ga Ga2 1 0.20342429 0.74685705 0.36362059 1.0 Ga Ga3 1 0.06435126 0.64304728 0.99468020 1.0 Ga Ga4 1 0.92609130 0.03052745 0.64922771 1.0 Ga Ga5 1 0.62388704 0.73219695 0.07411857 1.0 Ga Ga6 1 0.10250406 0.90030886 0.41386704 1.0 Ga Ga7 1 0.00405974 0.87261007 0.75909737 1.0 Ga Ga8 1 0.33664003 0.06370129 0.31876977 1.0 Ga Ga9 1 0.99917584 0.66106806 0.18478436 1.0 Ga Ga10 1 0.85444789 0.51918207 0.54348267 1.0 Ga Ga11 1 0.19283822 0.96676484 0.81152637 1.0 Ga Ga12 1 0.68739367 0.90627830 0.01344146 1.0 Ga Ga13 1 0.80151639 0.89768656 0.69494400 1.0 Ga Ga14 1 0.90604120 0.74297488 0.36540844 1.0 Ga Ga15 1 0.52345792 0.64653921 0.56786232 1.0 Ga Ga16 1 0.24322210 0.61968883 0.50342412 1.0 Ga Ga17 1 0.50665715 0.29005693 0.58325408 1.0 Ga Ga18 1 0.74862129 0.05465761 0.77264061 1.0 Ga Ga19 1 0.37604390 0.77718082 0.17414234 1.0 Ga Ga20 1 0.03767430 0.75433959 0.54161921 1.0 Ga Ga21 1 0.46786536 0.63078848 0.88141692 1.0 Ga Ga22 1 0.76482850 0.65070793 0.96806618 1.0 Ga Ga23 1 0.56986259 0.79238483 0.25352931 1.0 Ga Ga24 1 0.74315449 0.63942589 0.63339752 1.0 Ga Ga25 1 0.22606328 0.58818708 0.25236685 1.0 Ga Ga26 1 0.89255535 0.73310093 0.69098863 1.0 Ga Ga27 1 0.94984968 0.04772500 0.23818189 1.0 Ga Ga28 1 0.42306839 0.19128984 0.42779386 1.0 Ga Ga29 1 0.13780482 0.10705828 0.28418511 1.0 Ga Ga30 1 0.48568850 0.48135015 0.03004346 1.0 Ga Ga31 1 0.04603823 0.37886195 0.60625719 1.0 Ga Ga32 1 0.25795662 0.60136717 0.03143226 1.0 Ga Ga33 1 0.72000127 0.78611411 0.81075267 1.0 Ga Ga34 1 0.93908795 0.76309959 0.90371960 1.0 Ga Ga35 1 0.13288732 0.86793736 0.97521622 1.0 Ga Ga36 1 0.59457456 0.95600752 0.82064398 1.0 Ga Ga37 1 0.00463494 0.88201154 0.21976905 1.0 Ga Ga38 1 0.70879244 0.72044969 0.39385726 1.0 Ga Ga39 1 0.49039579 0.88646812 0.04257431 1.0 Ga Ga40 1 0.44634849 0.93186376 0.24305349 1.0 Ga Ga41 1 0.24279573 0.46283238 0.41653802 1.0 Ga Ga42 1 0.53651906 0.78327693 0.86977482 1.0 Ga Ga43 1 0.39396736 0.91815314 0.84938278 1.0 Ga Ga44 1 0.23469026 0.26749277 0.35755331 1.0 Ga Ga45 1 0.64286834 0.60178700 0.80294022 1.0 Ga Ga46 1 0.23847580 0.90656162 0.25437732 1.0 Ga Ga47 1 0.05568963 0.55801860 0.43379411 1.0 Ga Ga48 1 0.83318216 0.79428848 0.07530284 1.0 Ga Ga49 1 0.18265944 0.74557068 0.14096994 1.0 N N50 1 0.94383010 0.24100411 0.44745327 1.0 N N51 1 0.92348659 0.77776254 0.20812119 1.0 N N52 1 0.14226754 0.16150090 0.57217721 1.0 N N53 1 0.34286081 0.11596280 0.11702305 1.0 N N54 1 0.74430395 0.32004106 0.18320570 1.0 N N55 1 0.40209844 0.85114519 0.49929545 1.0 N N56 1 0.16080337 0.58126996 0.76342834 1.0 N N57 1 0.31761999 0.33369374 0.69602066 1.0 N N58 1 0.95051953 0.23132303 0.06862625 1.0 N N59 1 0.67565817 0.37458957 0.85459089 1.0 N N60 1 0.37427894 0.82835358 0.57762268 1.0 N N61 1 0.98904804 0.48079699 0.52825329 1.0 N N62 1 0.53063979 0.36506057 0.36607075 1.0 N N63 1 0.18513597 0.18608578 0.50217842 1.0 N N64 1 0.71121043 0.38801715 0.19335356 1.0 N N65 1 0.38875540 0.12530012 0.58480957 1.0 N N66 1 0.13014044 0.87621859 0.13671276 1.0 N N67 1 0.57179474 0.95268501 0.56145618 1.0 N N68 1 0.02519865 0.41506813 0.15151440 1.0 N N69 1 0.53510329 0.21661871 0.92654507 1.0 N N70 1 0.26868647 0.28468023 0.73148623 1.0 N N71 1 0.16342825 0.50895614 0.75011689 1.0 N N72 1 0.82130609 0.99895561 0.39259008 1.0 N N73 1 0.55071778 0.41254390 0.43217607 1.0 N N74 1 0.38458395 0.57166093 0.97263181 1.0 N N75 1 0.91568265 0.47757758 0.87917088 1.0 N N76 1 0.59147566 0.12226768 0.18354291 1.0 N N77 1 0.90672010 0.45096416 0.79547718 1.0 N N78 1 0.95904963 0.24770913 0.36015427 1.0 N N79 1 0.74062178 0.29464776 0.53999744 1.0 N N80 1 0.72684071 0.23065721 0.49974013 1.0 N N81 1 0.34197519 0.32771771 0.06471661 1.0 N N82 1 0.93179638 0.23219753 0.97950172 1.0 N N83 1 0.12255162 0.30411875 0.90443382 1.0 N N84 1 0.95500447 0.03536405 0.94746259 1.0 N N85 1 0.64056024 0.14437803 0.25412170 1.0 N N86 1 0.89973820 0.02207918 0.01002767 1.0 N N87 1 0.51643526 0.59707521 0.29568990 1.0 N N88 1 0.33046617 0.09748450 0.03000494 1.0 N N89 1 0.12978190 0.37407502 0.92710928 1.0 N N90 1 0.96786153 0.41622318 0.21420745 1.0 N N91 1 0.72906600 0.34043233 0.91715584 1.0 N N92 1 0.45556535 0.21167237 0.88985578 1.0 N N93 1 0.75799768 0.95241601 0.39018983 1.0 N N94 1 0.28653650 0.33118177 0.12932275 1.0 N N95 1 0.64966604 0.68396825 0.51815767 1.0 N N96 1 0.57103442 0.00048907 0.49251916 1.0 N N97 1 0.46567453 0.54813995 0.25579268 1.0 N N98 1 0.95773885 0.61553198 0.32326936 1.0 N N99 1 0.39072567 0.09847844 0.67051538 1.0