# generated using pymatgen data_Ta12Si3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.19380275 _cell_length_b 10.19284189 _cell_length_c 5.20313187 _cell_angle_alpha 89.99296438 _cell_angle_beta 89.95683033 _cell_angle_gamma 90.01296683 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12Si3As _chemical_formula_sum 'Ta24 Si6 As2' _cell_volume 540.62510404 _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 0.51857373 0.64589451 0.27446118 1.0 Ta Ta1 1 0.40224352 0.08796666 0.02676236 1.0 Ta Ta2 1 0.71129547 0.81298118 0.51283809 1.0 Ta Ta3 1 0.89748769 0.58378043 0.46778050 1.0 Ta Ta4 1 0.85294554 0.02071463 0.77225769 1.0 Ta Ta5 1 0.01555380 0.14796971 0.22535931 1.0 Ta Ta6 1 0.78441595 0.68654051 0.98792907 1.0 Ta Ta7 1 0.28711797 0.19022286 0.51574726 1.0 Ta Ta8 1 0.68684339 0.21339540 0.01353766 1.0 Ta Ta9 1 0.41680713 0.89779899 0.53228299 1.0 Ta Ta10 1 0.81235752 0.28677840 0.48540825 1.0 Ta Ta11 1 0.35358556 0.51838883 0.72614049 1.0 Ta Ta12 1 0.64618902 0.48126048 0.72552178 1.0 Ta Ta13 1 0.14758367 0.98604605 0.77635641 1.0 Ta Ta14 1 0.21317842 0.31355844 0.98623710 1.0 Ta Ta15 1 0.91374837 0.40037639 0.97059907 1.0 Ta Ta16 1 0.31390125 0.78452158 0.01221337 1.0 Ta Ta17 1 0.59931952 0.91378911 0.02883975 1.0 Ta Ta18 1 0.08802313 0.59733574 0.97373024 1.0 Ta Ta19 1 0.09929384 0.41494147 0.46938558 1.0 Ta Ta20 1 0.98017512 0.85342779 0.22627071 1.0 Ta Ta21 1 0.18960808 0.71072934 0.48611017 1.0 Ta Ta22 1 0.48133168 0.35332322 0.27365836 1.0 Ta Ta23 1 0.58554308 0.09971881 0.53028456 1.0 Si Si24 1 0.79410708 0.02946471 0.27812506 1.0 Si Si25 1 0.47090140 0.29596773 0.77907551 1.0 Si Si26 1 0.29625505 0.52847500 0.22086895 1.0 Si Si27 1 0.02924458 0.20631926 0.72048820 1.0 Si Si28 1 0.70388688 0.46915368 0.21902754 1.0 Si Si29 1 0.53026402 0.70359991 0.78086351 1.0 As As30 1 0.97183540 0.79389086 0.72255485 1.0 As As31 1 0.20638615 0.97166832 0.27928446 1.0