# generated using pymatgen data_Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43905600 _cell_length_b 10.49083700 _cell_length_c 25.48219700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni _chemical_formula_sum Ni180 _cell_volume 1988.67967984 _cell_formula_units_Z 180 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 Ni Ni0 1 0.000000 0.000000 0.013758 1 Ni Ni1 1 0.000000 0.000000 0.912655 1 Ni Ni2 1 0.000000 0.000000 0.813435 1 Ni Ni3 1 0.000000 0.000000 0.715799 1 Ni Ni4 1 0.000000 0.000000 0.619340 1 Ni Ni5 1 0.488562 0.119775 0.012022 1 Ni Ni6 1 0.447841 0.111124 0.911781 1 Ni Ni7 1 0.444476 0.110890 0.812872 1 Ni Ni8 1 0.444455 0.111180 0.715042 1 Ni Ni9 1 0.444632 0.107936 0.615643 1 Ni Ni10 1 0.891136 0.227162 0.996279 1 Ni Ni11 1 0.890132 0.221127 0.906068 1 Ni Ni12 1 0.889119 0.222028 0.810926 1 Ni Ni13 1 0.888755 0.222342 0.714516 1 Ni Ni14 1 0.889742 0.220014 0.618095 1 Ni Ni15 1 0.328496 0.344913 0.999743 1 Ni Ni16 1 0.332858 0.332316 0.906649 1 Ni Ni17 1 0.333100 0.333330 0.810359 1 Ni Ni18 1 0.331690 0.334775 0.712633 1 Ni Ni19 1 0.323909 0.334430 0.611585 1 Ni Ni20 1 0.765365 0.440063 0.011014 1 Ni Ni21 1 0.778121 0.445025 0.908793 1 Ni Ni22 1 0.778146 0.444936 0.810585 1 Ni Ni23 1 0.778764 0.445024 0.712738 1 Ni Ni24 1 0.770768 0.449223 0.615583 1 Ni Ni25 1 0.234635 0.559937 0.011014 1 Ni Ni26 1 0.221879 0.554975 0.908793 1 Ni Ni27 1 0.221854 0.555064 0.810585 1 Ni Ni28 1 0.221236 0.554976 0.712738 1 Ni Ni29 1 0.229232 0.550777 0.615583 1 Ni Ni30 1 0.671504 0.655087 0.999743 1 Ni Ni31 1 0.667142 0.667684 0.906649 1 Ni Ni32 1 0.666900 0.666670 0.810359 1 Ni Ni33 1 0.668310 0.665225 0.712633 1 Ni Ni34 1 0.676091 0.665570 0.611585 1 Ni Ni35 1 0.108864 0.772838 0.996279 1 Ni Ni36 1 0.109868 0.778873 0.906068 1 Ni Ni37 1 0.110881 0.777972 0.810926 1 Ni Ni38 1 0.111245 0.777658 0.714516 1 Ni Ni39 1 0.110258 0.779986 0.618095 1 Ni Ni40 1 0.511438 0.880225 0.012022 1 Ni Ni41 1 0.552159 0.888876 0.911781 1 Ni Ni42 1 0.555524 0.889110 0.812872 1 Ni Ni43 1 0.555545 0.888820 0.715042 1 Ni Ni44 1 0.555368 0.892064 0.615643 1 Ni Ni45 1 0.274121 0.949984 0.960752 1 Ni Ni46 1 0.278446 0.945441 0.861728 1 Ni Ni47 1 0.278242 0.944725 0.763796 1 Ni Ni48 1 0.279514 0.945012 0.665781 1 Ni Ni49 1 0.263088 0.944244 0.566318 1 Ni Ni50 1 0.725879 0.050016 0.960752 1 Ni Ni51 1 0.721554 0.054559 0.861728 1 Ni Ni52 1 0.721758 0.055275 0.763796 1 Ni Ni53 1 0.720486 0.054988 0.665781 1 Ni Ni54 1 0.736912 0.055756 0.566318 1 Ni Ni55 1 0.176228 0.166247 0.961876 1 Ni Ni56 1 0.167864 0.165365 0.861396 1 Ni Ni57 1 0.166883 0.166679 0.763967 1 Ni Ni58 1 0.167971 0.167856 0.667656 1 Ni Ni59 1 0.167385 0.158569 0.574404 1 Ni Ni60 1 0.610805 0.280649 0.956455 1 Ni Ni61 1 0.611385 0.277715 0.859745 1 Ni Ni62 1 0.610676 0.278025 0.763428 1 Ni Ni63 1 0.608840 0.277851 0.668060 1 Ni Ni64 1 0.610363 0.271558 0.577264 1 Ni Ni65 1 0.054619 0.392258 0.956932 1 Ni Ni66 1 0.055204 0.388835 0.859109 1 Ni Ni67 1 0.055537 0.389069 0.761323 1 Ni Ni68 1 0.052570 0.389198 0.661643 1 Ni Ni69 1 0.975960 0.379683 0.555045 1 Ni Ni70 1 0.500000 0.500000 0.956039 1 Ni Ni71 1 0.500000 0.500000 0.858905 1 Ni Ni72 1 0.500000 0.500000 0.761133 1 Ni Ni73 1 0.500000 0.500000 0.662658 1 Ni Ni74 1 0.500000 0.500000 0.561254 1 Ni Ni75 1 0.945381 0.607742 0.956932 1 Ni Ni76 1 0.944796 0.611165 0.859109 1 Ni Ni77 1 0.944463 0.610931 0.761323 1 Ni Ni78 1 0.947430 0.610802 0.661643 1 Ni Ni79 1 0.024040 0.620317 0.555045 1 Ni Ni80 1 0.389195 0.719351 0.956455 1 Ni Ni81 1 0.388615 0.722285 0.859745 1 Ni Ni82 1 0.389324 0.721975 0.763428 1 Ni Ni83 1 0.391160 0.722149 0.668060 1 Ni Ni84 1 0.389637 0.728442 0.577264 1 Ni Ni85 1 0.823772 0.833753 0.961876 1 Ni Ni86 1 0.832136 0.834635 0.861396 1 Ni Ni87 1 0.833117 0.833321 0.763967 1 Ni Ni88 1 0.832029 0.832144 0.667656 1 Ni Ni89 1 0.832615 0.841431 0.574404 1 Ni Ni90 1 0.000000 0.000000 0.513758 1 Ni Ni91 1 0.000000 0.000000 0.412655 1 Ni Ni92 1 0.000000 0.000000 0.313435 1 Ni Ni93 1 0.000000 0.000000 0.215799 1 Ni Ni94 1 0.000000 0.000000 0.119340 1 Ni Ni95 1 0.234635 0.440063 0.511014 1 Ni Ni96 1 0.221879 0.445025 0.408793 1 Ni Ni97 1 0.221854 0.444936 0.310585 1 Ni Ni98 1 0.221236 0.445024 0.212738 1 Ni Ni99 1 0.229232 0.449223 0.115583 1 Ni Ni100 1 0.671504 0.344913 0.499743 1 Ni Ni101 1 0.667142 0.332316 0.406649 1 Ni Ni102 1 0.666900 0.333330 0.310359 1 Ni Ni103 1 0.668310 0.334775 0.212633 1 Ni Ni104 1 0.676091 0.334430 0.111585 1 Ni Ni105 1 0.108864 0.227162 0.496279 1 Ni Ni106 1 0.109868 0.221127 0.406068 1 Ni Ni107 1 0.110881 0.222028 0.310926 1 Ni Ni108 1 0.111245 0.222342 0.214516 1 Ni Ni109 1 0.110258 0.220014 0.118095 1 Ni Ni110 1 0.511438 0.119775 0.512022 1 Ni Ni111 1 0.552159 0.111124 0.411781 1 Ni Ni112 1 0.555524 0.110890 0.312872 1 Ni Ni113 1 0.555545 0.111180 0.215042 1 Ni Ni114 1 0.555368 0.107936 0.115643 1 Ni Ni115 1 0.488562 0.880225 0.512022 1 Ni Ni116 1 0.447841 0.888876 0.411781 1 Ni Ni117 1 0.444476 0.889110 0.312872 1 Ni Ni118 1 0.444455 0.888820 0.215042 1 Ni Ni119 1 0.444632 0.892064 0.115643 1 Ni Ni120 1 0.891136 0.772838 0.496279 1 Ni Ni121 1 0.890132 0.778873 0.406068 1 Ni Ni122 1 0.889119 0.777972 0.310926 1 Ni Ni123 1 0.888755 0.777658 0.214516 1 Ni Ni124 1 0.889742 0.779986 0.118095 1 Ni Ni125 1 0.328496 0.655087 0.499743 1 Ni Ni126 1 0.332858 0.667684 0.406649 1 Ni Ni127 1 0.333100 0.666670 0.310359 1 Ni Ni128 1 0.331690 0.665225 0.212633 1 Ni Ni129 1 0.323909 0.665570 0.111585 1 Ni Ni130 1 0.765365 0.559937 0.511014 1 Ni Ni131 1 0.778121 0.554975 0.408793 1 Ni Ni132 1 0.778146 0.555064 0.310585 1 Ni Ni133 1 0.778764 0.554976 0.212738 1 Ni Ni134 1 0.770768 0.550777 0.115583 1 Ni Ni135 1 0.176228 0.833753 0.461876 1 Ni Ni136 1 0.167864 0.834635 0.361396 1 Ni Ni137 1 0.166883 0.833321 0.263967 1 Ni Ni138 1 0.167971 0.832144 0.167656 1 Ni Ni139 1 0.167385 0.841431 0.074404 1 Ni Ni140 1 0.389195 0.280649 0.456455 1 Ni Ni141 1 0.388615 0.277715 0.359745 1 Ni Ni142 1 0.389324 0.278025 0.263428 1 Ni Ni143 1 0.391160 0.277851 0.168060 1 Ni Ni144 1 0.389637 0.271558 0.077264 1 Ni Ni145 1 0.823772 0.166247 0.461876 1 Ni Ni146 1 0.832136 0.165365 0.361396 1 Ni Ni147 1 0.833117 0.166679 0.263967 1 Ni Ni148 1 0.832029 0.167856 0.167656 1 Ni Ni149 1 0.832615 0.158569 0.074404 1 Ni Ni150 1 0.274121 0.050016 0.460752 1 Ni Ni151 1 0.278446 0.054559 0.361728 1 Ni Ni152 1 0.278242 0.055275 0.263796 1 Ni Ni153 1 0.279514 0.054988 0.165781 1 Ni Ni154 1 0.263088 0.055756 0.066318 1 Ni Ni155 1 0.725879 0.949984 0.460752 1 Ni Ni156 1 0.721554 0.945441 0.361728 1 Ni Ni157 1 0.721758 0.944725 0.263796 1 Ni Ni158 1 0.720486 0.945012 0.165781 1 Ni Ni159 1 0.736912 0.944244 0.066318 1 Ni Ni160 1 0.610805 0.719351 0.456455 1 Ni Ni161 1 0.611385 0.722285 0.359745 1 Ni Ni162 1 0.610676 0.721975 0.263428 1 Ni Ni163 1 0.608840 0.722149 0.168060 1 Ni Ni164 1 0.610363 0.728442 0.077264 1 Ni Ni165 1 0.054619 0.607742 0.456932 1 Ni Ni166 1 0.055204 0.611165 0.359109 1 Ni Ni167 1 0.055537 0.610931 0.261323 1 Ni Ni168 1 0.052570 0.610802 0.161643 1 Ni Ni169 1 0.975960 0.620317 0.055045 1 Ni Ni170 1 0.500000 0.500000 0.456039 1 Ni Ni171 1 0.500000 0.500000 0.358905 1 Ni Ni172 1 0.500000 0.500000 0.261133 1 Ni Ni173 1 0.500000 0.500000 0.162658 1 Ni Ni174 1 0.500000 0.500000 0.061254 1 Ni Ni175 1 0.945381 0.392258 0.456932 1 Ni Ni176 1 0.944796 0.388835 0.359109 1 Ni Ni177 1 0.944463 0.389069 0.261323 1 Ni Ni178 1 0.947430 0.389198 0.161643 1 Ni Ni179 1 0.024040 0.379683 0.055045 1