# generated using pymatgen data_Mg149S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.83952779 _cell_length_b 15.83953313 _cell_length_c 15.44289538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000888 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg149S _chemical_formula_sum 'Mg149 S1' _cell_volume 3355.39713127 _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 Mg Mg0 1 0.80241890 0.00167072 0.00000000 1.0 Mg Mg1 1 0.19925182 0.00167072 0.00000000 1.0 Mg Mg2 1 0.19925182 0.19758110 0.00000000 1.0 Mg Mg3 1 0.99832928 0.19758210 0.00000000 1.0 Mg Mg4 1 0.80040248 0.19959752 0.00000000 1.0 Mg Mg5 1 0.39919504 0.19959752 0.00000000 1.0 Mg Mg6 1 0.60028043 0.20056087 0.00000000 1.0 Mg Mg7 1 0.19888771 0.39777543 0.00000000 1.0 Mg Mg8 1 0.60028043 0.39971957 0.00000000 1.0 Mg Mg9 1 0.79944013 0.39971957 0.00000000 1.0 Mg Mg10 1 0.00042081 0.40088266 0.00000000 1.0 Mg Mg11 1 0.40046185 0.40088266 0.00000000 1.0 Mg Mg12 1 0.59911734 0.59953815 0.00000000 1.0 Mg Mg13 1 0.00042081 0.59953815 0.00000000 1.0 Mg Mg14 1 0.39991875 0.60008225 0.00000000 1.0 Mg Mg15 1 0.20016450 0.60008225 0.00000000 1.0 Mg Mg16 1 0.80040248 0.60080496 0.00000000 1.0 Mg Mg17 1 0.39991875 0.79983550 0.00000000 1.0 Mg Mg18 1 0.60222457 0.80111229 0.00000000 1.0 Mg Mg19 1 0.19888771 0.80111229 0.00000000 1.0 Mg Mg20 1 0.99832928 0.80074818 0.00000000 1.0 Mg Mg21 1 0.80241890 0.80074818 0.00000000 1.0 Mg Mg22 1 0.59911734 0.99957919 0.00000000 1.0 Mg Mg23 1 0.40046185 0.99957919 0.00000000 1.0 Mg Mg24 1 0.06602493 0.13204886 0.16558374 1.0 Mg Mg25 1 0.06602493 0.93397507 0.16558374 1.0 Mg Mg26 1 0.86795114 0.93397607 0.16558374 1.0 Mg Mg27 1 0.26559975 0.33117026 0.16609136 1.0 Mg Mg28 1 0.06557051 0.33117026 0.16609136 1.0 Mg Mg29 1 0.66882974 0.73440025 0.16609136 1.0 Mg Mg30 1 0.06557051 0.73440025 0.16609136 1.0 Mg Mg31 1 0.66882974 0.93442949 0.16609136 1.0 Mg Mg32 1 0.26559975 0.93442949 0.16609136 1.0 Mg Mg33 1 0.26651141 0.53302184 0.16597387 1.0 Mg Mg34 1 0.26651141 0.73348859 0.16597387 1.0 Mg Mg35 1 0.46697716 0.73348859 0.16597387 1.0 Mg Mg36 1 0.66666600 0.33333300 0.16627492 1.0 Mg Mg37 1 0.46664256 0.13326903 0.16638095 1.0 Mg Mg38 1 0.66662647 0.13327003 0.16638095 1.0 Mg Mg39 1 0.86672997 0.33337253 0.16638095 1.0 Mg Mg40 1 0.46664256 0.33337353 0.16638095 1.0 Mg Mg41 1 0.66662647 0.53335644 0.16638095 1.0 Mg Mg42 1 0.86672997 0.53335644 0.16638095 1.0 Mg Mg43 1 0.06661741 0.53330870 0.16642003 1.0 Mg Mg44 1 0.46669130 0.53330970 0.16642003 1.0 Mg Mg45 1 0.46669130 0.93338259 0.16642003 1.0 Mg Mg46 1 0.26664884 0.13332492 0.16658907 1.0 Mg Mg47 1 0.86667508 0.13332492 0.16658907 1.0 Mg Mg48 1 0.86667508 0.73335016 0.16658907 1.0 Mg Mg49 1 0.00000000 0.00000000 0.33058827 1.0 Mg Mg50 1 0.19942131 0.39884362 0.33273549 1.0 Mg Mg51 1 0.19942131 0.80057869 0.33273549 1.0 Mg Mg52 1 0.60115738 0.80057869 0.33273549 1.0 Mg Mg53 1 0.39978725 0.60021275 0.33242478 1.0 Mg Mg54 1 0.20042550 0.60021275 0.33242478 1.0 Mg Mg55 1 0.39978725 0.79957350 0.33242478 1.0 Mg Mg56 1 0.60023047 0.20046096 0.33249370 1.0 Mg Mg57 1 0.79953804 0.39976953 0.33249370 1.0 Mg Mg58 1 0.60023047 0.39976953 0.33249370 1.0 Mg Mg59 1 0.80076139 0.19923861 0.33330926 1.0 Mg Mg60 1 0.39847721 0.19923861 0.33330926 1.0 Mg Mg61 1 0.80076139 0.60152279 0.33330926 1.0 Mg Mg62 1 0.39986222 0.99979021 0.33379076 1.0 Mg Mg63 1 0.59992899 0.99979121 0.33379076 1.0 Mg Mg64 1 0.00020879 0.40007201 0.33379076 1.0 Mg Mg65 1 0.39986222 0.40007201 0.33379076 1.0 Mg Mg66 1 0.00020879 0.60013778 0.33379076 1.0 Mg Mg67 1 0.59992899 0.60013778 0.33379076 1.0 Mg Mg68 1 0.19998439 0.99997667 0.33385956 1.0 Mg Mg69 1 0.79999229 0.99997667 0.33385956 1.0 Mg Mg70 1 0.19998439 0.20000771 0.33385956 1.0 Mg Mg71 1 0.00002333 0.20000771 0.33385956 1.0 Mg Mg72 1 0.79999229 0.80001561 0.33385956 1.0 Mg Mg73 1 0.00002333 0.80001561 0.33385956 1.0 Mg Mg74 1 0.06658195 0.13316391 0.50000000 1.0 Mg Mg75 1 0.26696561 0.13348280 0.50000000 1.0 Mg Mg76 1 0.86651720 0.13348280 0.50000000 1.0 Mg Mg77 1 0.46654097 0.13316722 0.50000000 1.0 Mg Mg78 1 0.66662527 0.13316722 0.50000000 1.0 Mg Mg79 1 0.06683148 0.33351268 0.50000000 1.0 Mg Mg80 1 0.26668121 0.33351268 0.50000000 1.0 Mg Mg81 1 0.46654097 0.33337373 0.50000000 1.0 Mg Mg82 1 0.86683278 0.33337373 0.50000000 1.0 Mg Mg83 1 0.66666600 0.33333300 0.50000000 1.0 Mg Mg84 1 0.26661159 0.53322419 0.50000000 1.0 Mg Mg85 1 0.66662527 0.53345803 0.50000000 1.0 Mg Mg86 1 0.86683278 0.53345803 0.50000000 1.0 Mg Mg87 1 0.46653236 0.53346664 0.50000000 1.0 Mg Mg88 1 0.06693428 0.53346764 0.50000000 1.0 Mg Mg89 1 0.46677581 0.73338841 0.50000000 1.0 Mg Mg90 1 0.26661159 0.73338841 0.50000000 1.0 Mg Mg91 1 0.86651720 0.73303439 0.50000000 1.0 Mg Mg92 1 0.06683148 0.73331879 0.50000000 1.0 Mg Mg93 1 0.66648732 0.73331879 0.50000000 1.0 Mg Mg94 1 0.46653236 0.93306572 0.50000000 1.0 Mg Mg95 1 0.66648732 0.93316852 0.50000000 1.0 Mg Mg96 1 0.26668121 0.93316852 0.50000000 1.0 Mg Mg97 1 0.06658195 0.93341805 0.50000000 1.0 Mg Mg98 1 0.86683609 0.93341805 0.50000000 1.0 Mg Mg99 1 0.19998439 0.99997667 0.66614044 1.0 Mg Mg100 1 0.79999229 0.99997667 0.66614044 1.0 Mg Mg101 1 0.19998439 0.20000771 0.66614044 1.0 Mg Mg102 1 0.00002333 0.20000771 0.66614044 1.0 Mg Mg103 1 0.79999229 0.80001561 0.66614044 1.0 Mg Mg104 1 0.00002333 0.80001561 0.66614044 1.0 Mg Mg105 1 0.39986222 0.99979021 0.66620824 1.0 Mg Mg106 1 0.59992899 0.99979121 0.66620824 1.0 Mg Mg107 1 0.00020879 0.40007201 0.66620824 1.0 Mg Mg108 1 0.39986222 0.40007201 0.66620824 1.0 Mg Mg109 1 0.00020879 0.60013778 0.66620824 1.0 Mg Mg110 1 0.59992899 0.60013778 0.66620824 1.0 Mg Mg111 1 0.80076139 0.19923861 0.66668974 1.0 Mg Mg112 1 0.39847721 0.19923861 0.66668974 1.0 Mg Mg113 1 0.80076139 0.60152279 0.66668974 1.0 Mg Mg114 1 0.60023047 0.20046096 0.66750630 1.0 Mg Mg115 1 0.79953804 0.39976953 0.66750630 1.0 Mg Mg116 1 0.60023047 0.39976953 0.66750630 1.0 Mg Mg117 1 0.39978725 0.60021275 0.66757522 1.0 Mg Mg118 1 0.20042550 0.60021275 0.66757522 1.0 Mg Mg119 1 0.39978725 0.79957350 0.66757522 1.0 Mg Mg120 1 0.19942131 0.39884362 0.66726551 1.0 Mg Mg121 1 0.19942131 0.80057869 0.66726551 1.0 Mg Mg122 1 0.60115738 0.80057869 0.66726551 1.0 Mg Mg123 1 0.00000000 0.00000000 0.66941173 1.0 Mg Mg124 1 0.26664884 0.13332492 0.83341093 1.0 Mg Mg125 1 0.86667508 0.13332492 0.83341093 1.0 Mg Mg126 1 0.86667508 0.73335016 0.83341093 1.0 Mg Mg127 1 0.06661741 0.53330870 0.83357997 1.0 Mg Mg128 1 0.46669130 0.53330970 0.83357997 1.0 Mg Mg129 1 0.46669130 0.93338259 0.83357997 1.0 Mg Mg130 1 0.46664256 0.13326903 0.83361905 1.0 Mg Mg131 1 0.66662647 0.13327003 0.83361905 1.0 Mg Mg132 1 0.86672997 0.33337253 0.83361905 1.0 Mg Mg133 1 0.46664256 0.33337353 0.83361905 1.0 Mg Mg134 1 0.66662647 0.53335644 0.83361905 1.0 Mg Mg135 1 0.86672997 0.53335644 0.83361905 1.0 Mg Mg136 1 0.66666600 0.33333300 0.83372408 1.0 Mg Mg137 1 0.26651141 0.53302184 0.83402713 1.0 Mg Mg138 1 0.26651141 0.73348859 0.83402713 1.0 Mg Mg139 1 0.46697716 0.73348859 0.83402713 1.0 Mg Mg140 1 0.26559975 0.33117026 0.83390764 1.0 Mg Mg141 1 0.06557051 0.33117026 0.83390764 1.0 Mg Mg142 1 0.66882974 0.73440025 0.83390764 1.0 Mg Mg143 1 0.06557051 0.73440025 0.83390764 1.0 Mg Mg144 1 0.66882974 0.93442949 0.83390764 1.0 Mg Mg145 1 0.26559975 0.93442949 0.83390764 1.0 Mg Mg146 1 0.06602493 0.13204886 0.83441626 1.0 Mg Mg147 1 0.06602493 0.93397507 0.83441626 1.0 Mg Mg148 1 0.86795114 0.93397607 0.83441626 1.0 S S149 1 0.00000000 0.00000000 0.00000000 1.0