# generated using pymatgen data_Ta13Co40Si31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.15123146 _cell_length_b 17.15123146 _cell_length_c 7.86891300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999793 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta13Co40Si31 _chemical_formula_sum 'Ta26 Co80 Si62' _cell_volume 2004.63819310 _cell_formula_units_Z 2 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 Ta Ta0 1 0.72741300 0.72741300 0.70268600 1.0 Ta Ta1 1 0.27258700 0.00000000 0.70268600 1.0 Ta Ta2 1 0.00000000 0.27258700 0.70268600 1.0 Ta Ta3 1 0.27258700 0.27258700 0.70268600 1.0 Ta Ta4 1 0.72741300 0.00000000 0.70268600 1.0 Ta Ta5 1 0.00000000 0.72741300 0.70268600 1.0 Ta Ta6 1 0.27258700 0.27258700 0.29731400 1.0 Ta Ta7 1 0.72741300 0.00000000 0.29731400 1.0 Ta Ta8 1 0.00000000 0.72741300 0.29731400 1.0 Ta Ta9 1 0.72741300 0.72741300 0.29731400 1.0 Ta Ta10 1 0.27258700 0.00000000 0.29731400 1.0 Ta Ta11 1 0.00000000 0.27258700 0.29731400 1.0 Ta Ta12 1 0.42330700 0.57669300 0.50000000 1.0 Ta Ta13 1 0.42330700 0.84661400 0.50000000 1.0 Ta Ta14 1 0.15338600 0.57669300 0.50000000 1.0 Ta Ta15 1 0.57669300 0.42330700 0.50000000 1.0 Ta Ta16 1 0.84661400 0.42330700 0.50000000 1.0 Ta Ta17 1 0.57669300 0.15338600 0.50000000 1.0 Ta Ta18 1 0.75617000 0.24383000 0.00000000 1.0 Ta Ta19 1 0.75617000 0.51234000 0.00000000 1.0 Ta Ta20 1 0.48766000 0.24383000 0.00000000 1.0 Ta Ta21 1 0.24383000 0.75617000 0.00000000 1.0 Ta Ta22 1 0.51234000 0.75617000 0.00000000 1.0 Ta Ta23 1 0.24383000 0.48766000 0.00000000 1.0 Ta Ta24 1 0.00000000 0.00000000 0.80016100 1.0 Ta Ta25 1 0.00000000 0.00000000 0.19983900 1.0 Co Co26 1 0.89750000 0.34243900 0.77048600 1.0 Co Co27 1 0.65756100 0.55506200 0.77048600 1.0 Co Co28 1 0.44493800 0.10250000 0.77048600 1.0 Co Co29 1 0.34243900 0.89750000 0.77048600 1.0 Co Co30 1 0.55506200 0.65756100 0.77048600 1.0 Co Co31 1 0.10250000 0.44493800 0.77048600 1.0 Co Co32 1 0.10250000 0.65756100 0.77048600 1.0 Co Co33 1 0.34243900 0.44493800 0.77048600 1.0 Co Co34 1 0.55506200 0.89750000 0.77048600 1.0 Co Co35 1 0.65756100 0.10250000 0.77048600 1.0 Co Co36 1 0.44493800 0.34243900 0.77048600 1.0 Co Co37 1 0.89750000 0.55506200 0.77048600 1.0 Co Co38 1 0.10250000 0.65756100 0.22951400 1.0 Co Co39 1 0.34243900 0.44493800 0.22951400 1.0 Co Co40 1 0.55506200 0.89750000 0.22951400 1.0 Co Co41 1 0.65756100 0.10250000 0.22951400 1.0 Co Co42 1 0.44493800 0.34243900 0.22951400 1.0 Co Co43 1 0.89750000 0.55506200 0.22951400 1.0 Co Co44 1 0.89750000 0.34243900 0.22951400 1.0 Co Co45 1 0.65756100 0.55506200 0.22951400 1.0 Co Co46 1 0.44493800 0.10250000 0.22951400 1.0 Co Co47 1 0.34243900 0.89750000 0.22951400 1.0 Co Co48 1 0.55506200 0.65756100 0.22951400 1.0 Co Co49 1 0.10250000 0.44493800 0.22951400 1.0 Co Co50 1 0.91444000 0.23573300 0.00000000 1.0 Co Co51 1 0.76426700 0.67870700 0.00000000 1.0 Co Co52 1 0.32129300 0.08556000 0.00000000 1.0 Co Co53 1 0.23573300 0.91444000 0.00000000 1.0 Co Co54 1 0.67870700 0.76426700 0.00000000 1.0 Co Co55 1 0.08556000 0.32129300 0.00000000 1.0 Co Co56 1 0.08556000 0.76426700 0.00000000 1.0 Co Co57 1 0.23573300 0.32129300 0.00000000 1.0 Co Co58 1 0.67870700 0.91444000 0.00000000 1.0 Co Co59 1 0.76426700 0.08556000 0.00000000 1.0 Co Co60 1 0.32129300 0.23573300 0.00000000 1.0 Co Co61 1 0.91444000 0.67870700 0.00000000 1.0 Co Co62 1 0.91104200 0.08895800 0.75709900 1.0 Co Co63 1 0.91104200 0.82208500 0.75709900 1.0 Co Co64 1 0.17791500 0.08895800 0.75709900 1.0 Co Co65 1 0.08895800 0.91104200 0.75709900 1.0 Co Co66 1 0.82208500 0.91104200 0.75709900 1.0 Co Co67 1 0.08895800 0.17791500 0.75709900 1.0 Co Co68 1 0.08895800 0.91104200 0.24290100 1.0 Co Co69 1 0.08895800 0.17791500 0.24290100 1.0 Co Co70 1 0.82208500 0.91104200 0.24290100 1.0 Co Co71 1 0.91104200 0.08895800 0.24290100 1.0 Co Co72 1 0.17791500 0.08895800 0.24290100 1.0 Co Co73 1 0.91104200 0.82208500 0.24290100 1.0 Co Co74 1 0.73783500 0.26216500 0.65786000 1.0 Co Co75 1 0.73783500 0.47566900 0.65786000 1.0 Co Co76 1 0.52433100 0.26216500 0.65786000 1.0 Co Co77 1 0.26216500 0.73783500 0.65786000 1.0 Co Co78 1 0.47566900 0.73783500 0.65786000 1.0 Co Co79 1 0.26216500 0.52433100 0.65786000 1.0 Co Co80 1 0.26216500 0.73783500 0.34214000 1.0 Co Co81 1 0.26216500 0.52433100 0.34214000 1.0 Co Co82 1 0.47566900 0.73783500 0.34214000 1.0 Co Co83 1 0.73783500 0.26216500 0.34214000 1.0 Co Co84 1 0.52433100 0.26216500 0.34214000 1.0 Co Co85 1 0.73783500 0.47566900 0.34214000 1.0 Co Co86 1 0.85826000 0.14174000 0.50000000 1.0 Co Co87 1 0.85826000 0.71652000 0.50000000 1.0 Co Co88 1 0.28348000 0.14174000 0.50000000 1.0 Co Co89 1 0.14174000 0.85826000 0.50000000 1.0 Co Co90 1 0.71652000 0.85826000 0.50000000 1.0 Co Co91 1 0.14174000 0.28348000 0.50000000 1.0 Co Co92 1 0.45611900 0.54388100 0.00000000 1.0 Co Co93 1 0.45611900 0.91223700 0.00000000 1.0 Co Co94 1 0.08776300 0.54388100 0.00000000 1.0 Co Co95 1 0.54388100 0.45611900 0.00000000 1.0 Co Co96 1 0.91223700 0.45611900 0.00000000 1.0 Co Co97 1 0.54388100 0.08776300 0.00000000 1.0 Co Co98 1 0.58227300 0.58227300 0.50000000 1.0 Co Co99 1 0.41772700 0.00000000 0.50000000 1.0 Co Co100 1 0.00000000 0.41772700 0.50000000 1.0 Co Co101 1 0.41772700 0.41772700 0.50000000 1.0 Co Co102 1 0.58227300 0.00000000 0.50000000 1.0 Co Co103 1 0.00000000 0.58227300 0.50000000 1.0 Co Co104 1 0.66666700 0.33333300 0.00000000 1.0 Co Co105 1 0.33333300 0.66666700 0.00000000 1.0 Si Si106 1 0.87086500 0.28189600 0.50000000 1.0 Si Si107 1 0.71810400 0.58896900 0.50000000 1.0 Si Si108 1 0.41103100 0.12913500 0.50000000 1.0 Si Si109 1 0.28189600 0.87086500 0.50000000 1.0 Si Si110 1 0.58896900 0.71810400 0.50000000 1.0 Si Si111 1 0.12913500 0.41103100 0.50000000 1.0 Si Si112 1 0.12913500 0.71810400 0.50000000 1.0 Si Si113 1 0.28189600 0.41103100 0.50000000 1.0 Si Si114 1 0.58896900 0.87086500 0.50000000 1.0 Si Si115 1 0.71810400 0.12913500 0.50000000 1.0 Si Si116 1 0.41103100 0.28189600 0.50000000 1.0 Si Si117 1 0.87086500 0.58896900 0.50000000 1.0 Si Si118 1 0.82134300 0.17865700 0.76536200 1.0 Si Si119 1 0.82134300 0.64268600 0.76536200 1.0 Si Si120 1 0.35731400 0.17865700 0.76536200 1.0 Si Si121 1 0.17865700 0.82134300 0.76536200 1.0 Si Si122 1 0.64268600 0.82134300 0.76536200 1.0 Si Si123 1 0.17865700 0.35731400 0.76536200 1.0 Si Si124 1 0.17865700 0.82134300 0.23463800 1.0 Si Si125 1 0.17865700 0.35731400 0.23463800 1.0 Si Si126 1 0.64268600 0.82134300 0.23463800 1.0 Si Si127 1 0.82134300 0.17865700 0.23463800 1.0 Si Si128 1 0.35731400 0.17865700 0.23463800 1.0 Si Si129 1 0.82134300 0.64268600 0.23463800 1.0 Si Si130 1 0.39545300 0.60454700 0.81981900 1.0 Si Si131 1 0.39545300 0.79090600 0.81981900 1.0 Si Si132 1 0.20909400 0.60454700 0.81981900 1.0 Si Si133 1 0.60454700 0.39545300 0.81981900 1.0 Si Si134 1 0.79090600 0.39545300 0.81981900 1.0 Si Si135 1 0.60454700 0.20909400 0.81981900 1.0 Si Si136 1 0.60454700 0.39545300 0.18018100 1.0 Si Si137 1 0.60454700 0.20909400 0.18018100 1.0 Si Si138 1 0.79090600 0.39545300 0.18018100 1.0 Si Si139 1 0.39545300 0.60454700 0.18018100 1.0 Si Si140 1 0.20909400 0.60454700 0.18018100 1.0 Si Si141 1 0.39545300 0.79090600 0.18018100 1.0 Si Si142 1 0.85498800 0.85498800 0.50000000 1.0 Si Si143 1 0.14501200 0.00000000 0.50000000 1.0 Si Si144 1 0.00000000 0.14501200 0.50000000 1.0 Si Si145 1 0.14501200 0.14501200 0.50000000 1.0 Si Si146 1 0.85498800 0.00000000 0.50000000 1.0 Si Si147 1 0.00000000 0.85498800 0.50000000 1.0 Si Si148 1 0.83855900 0.83855900 0.00000000 1.0 Si Si149 1 0.16144100 0.00000000 0.00000000 1.0 Si Si150 1 0.00000000 0.16144100 0.00000000 1.0 Si Si151 1 0.16144100 0.16144100 0.00000000 1.0 Si Si152 1 0.83855900 0.00000000 0.00000000 1.0 Si Si153 1 0.00000000 0.83855900 0.00000000 1.0 Si Si154 1 0.61208800 0.61208800 0.00000000 1.0 Si Si155 1 0.38791200 0.00000000 0.00000000 1.0 Si Si156 1 0.00000000 0.38791200 0.00000000 1.0 Si Si157 1 0.38791200 0.38791200 0.00000000 1.0 Si Si158 1 0.61208800 0.00000000 0.00000000 1.0 Si Si159 1 0.00000000 0.61208800 0.00000000 1.0 Si Si160 1 0.50000000 0.50000000 0.73742300 1.0 Si Si161 1 0.50000000 0.00000000 0.73742300 1.0 Si Si162 1 0.00000000 0.50000000 0.73742300 1.0 Si Si163 1 0.50000000 0.50000000 0.26257700 1.0 Si Si164 1 0.50000000 0.00000000 0.26257700 1.0 Si Si165 1 0.00000000 0.50000000 0.26257700 1.0 Si Si166 1 0.66666700 0.33333300 0.50000000 1.0 Si Si167 1 0.33333300 0.66666700 0.50000000 1.0