# generated using pymatgen data_Ta3Te14Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78977968 _cell_length_b 14.97404839 _cell_length_c 21.25550504 _cell_angle_alpha 72.81045577 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Te14Pd3 _chemical_formula_sum 'Ta6 Te28 Pd6' _cell_volume 1152.33589227 _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 0.75000000 0.30051096 0.45751539 1.0 Ta Ta1 1 0.25000000 0.69948904 0.54248461 1.0 Ta Ta2 1 0.75000000 0.94614772 0.80941332 1.0 Ta Ta3 1 0.25000000 0.05385228 0.19058668 1.0 Ta Ta4 1 0.75000000 0.57804375 0.15256399 1.0 Ta Ta5 1 0.25000000 0.42195625 0.84743601 1.0 Te Te6 1 0.25000000 0.31379172 0.55462780 1.0 Te Te7 1 0.75000000 0.68620828 0.44537220 1.0 Te Te8 1 0.75000000 0.13954283 0.72201262 1.0 Te Te9 1 0.25000000 0.86045717 0.27798738 1.0 Te Te10 1 0.75000000 0.61830361 0.00975729 1.0 Te Te11 1 0.25000000 0.38169639 0.99024271 1.0 Te Te12 1 0.25000000 0.72421197 0.11081319 1.0 Te Te13 1 0.75000000 0.27578803 0.88918681 1.0 Te Te14 1 0.25000000 0.44844475 0.41140416 1.0 Te Te15 1 0.75000000 0.55155525 0.58859584 1.0 Te Te16 1 0.25000000 0.18916741 0.41209851 1.0 Te Te17 1 0.75000000 0.81083259 0.58790149 1.0 Te Te18 1 0.75000000 0.88712020 0.95304030 1.0 Te Te19 1 0.25000000 0.11287980 0.04695970 1.0 Te Te20 1 0.25000000 0.79614180 0.84489669 1.0 Te Te21 1 0.75000000 0.20385820 0.15510331 1.0 Te Te22 1 0.75000000 0.34136243 0.31539058 1.0 Te Te23 1 0.25000000 0.65863757 0.68460942 1.0 Te Te24 1 0.25000000 0.94749591 0.70818802 1.0 Te Te25 1 0.75000000 0.05250409 0.29181198 1.0 Te Te26 1 0.75000000 0.61401898 0.26738140 1.0 Te Te27 1 0.25000000 0.38598102 0.73261860 1.0 Te Te28 1 0.25000000 0.05210534 0.85839361 1.0 Te Te29 1 0.75000000 0.94789466 0.14160639 1.0 Te Te30 1 0.25000000 0.44296515 0.15382138 1.0 Te Te31 1 0.75000000 0.55703485 0.84617862 1.0 Te Te32 1 0.75000000 0.11040668 0.54844887 1.0 Te Te33 1 0.25000000 0.88959332 0.45155113 1.0 Pd Pd34 1 0.25000000 0.75228409 0.97985950 1.0 Pd Pd35 1 0.75000000 0.24771591 0.02014050 1.0 Pd Pd36 1 0.25000000 0.12876082 0.63458257 1.0 Pd Pd37 1 0.75000000 0.87123918 0.36541743 1.0 Pd Pd38 1 0.25000000 0.47888754 0.27379167 1.0 Pd Pd39 1 0.75000000 0.52111246 0.72620833 1.0