# generated using pymatgen data_Ta2Te5Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76159929 _cell_length_b 14.72196635 _cell_length_c 18.71963138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Te5Pd3 _chemical_formula_sum 'Ta8 Te20 Pd12' _cell_volume 1036.65833304 _cell_formula_units_Z 4 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 0.25000000 0.25029581 0.41573934 1.0 Ta Ta1 1 0.75000000 0.74970419 0.58426066 1.0 Ta Ta2 1 0.25000000 0.75029581 0.08426066 1.0 Ta Ta3 1 0.75000000 0.24970419 0.91573934 1.0 Ta Ta4 1 0.25000000 0.25428517 0.66785207 1.0 Ta Ta5 1 0.75000000 0.74571483 0.33214793 1.0 Ta Ta6 1 0.25000000 0.75428517 0.83214793 1.0 Ta Ta7 1 0.75000000 0.24571483 0.16785207 1.0 Te Te8 1 0.25000000 0.11419424 0.22031846 1.0 Te Te9 1 0.75000000 0.88580576 0.77968154 1.0 Te Te10 1 0.25000000 0.61419424 0.27968154 1.0 Te Te11 1 0.75000000 0.38065977 0.36161424 1.0 Te Te12 1 0.75000000 0.38580576 0.72031846 1.0 Te Te13 1 0.25000000 0.11934023 0.86161424 1.0 Te Te14 1 0.75000000 0.88065977 0.13838576 1.0 Te Te15 1 0.25000000 0.61934023 0.63838576 1.0 Te Te16 1 0.25000000 0.38902589 0.14673604 1.0 Te Te17 1 0.75000000 0.61097411 0.85326396 1.0 Te Te18 1 0.25000000 0.88902589 0.35326396 1.0 Te Te19 1 0.75000000 0.11097411 0.64673604 1.0 Te Te20 1 0.75000000 0.14334210 0.04083978 1.0 Te Te21 1 0.25000000 0.85665790 0.95916022 1.0 Te Te22 1 0.75000000 0.64334210 0.45916022 1.0 Te Te23 1 0.25000000 0.35665790 0.54083978 1.0 Te Te24 1 0.25000000 0.39241569 0.93920038 1.0 Te Te25 1 0.75000000 0.60758431 0.06079962 1.0 Te Te26 1 0.25000000 0.89241569 0.56079962 1.0 Te Te27 1 0.75000000 0.10758431 0.43920038 1.0 Pd Pd28 1 0.25000000 0.31494251 0.81061590 1.0 Pd Pd29 1 0.25000000 0.30681491 0.27313872 1.0 Pd Pd30 1 0.75000000 0.69318509 0.72686128 1.0 Pd Pd31 1 0.25000000 0.80681491 0.22686128 1.0 Pd Pd32 1 0.75000000 0.19318509 0.77313872 1.0 Pd Pd33 1 0.75000000 0.68505749 0.18938410 1.0 Pd Pd34 1 0.25000000 0.81494251 0.68938410 1.0 Pd Pd35 1 0.75000000 0.18505749 0.31061590 1.0 Pd Pd36 1 0.25000000 0.27036024 0.04181220 1.0 Pd Pd37 1 0.75000000 0.72963976 0.95818780 1.0 Pd Pd38 1 0.25000000 0.77036024 0.45818780 1.0 Pd Pd39 1 0.75000000 0.22963976 0.54181220 1.0