# generated using pymatgen data_Ta6S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28177384 _cell_length_b 7.58168702 _cell_length_c 13.35901479 _cell_angle_alpha 85.54993046 _cell_angle_beta 78.59491380 _cell_angle_gamma 69.61287068 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6S _chemical_formula_sum 'Ta24 S4' _cell_volume 491.52498271 _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 0.00153879 0.22417179 0.45403801 1.0 Ta Ta1 1 0.67970577 0.27588410 0.04592202 1.0 Ta Ta2 1 0.99846121 0.77582821 0.54596199 1.0 Ta Ta3 1 0.32029423 0.72411590 0.95407798 1.0 Ta Ta4 1 0.40073633 0.46790562 0.40559148 1.0 Ta Ta5 1 0.27439443 0.03202779 0.09435849 1.0 Ta Ta6 1 0.59926367 0.53209438 0.59440852 1.0 Ta Ta7 1 0.72560557 0.96797221 0.90564151 1.0 Ta Ta8 1 0.81638292 0.89840110 0.17430335 1.0 Ta Ta9 1 0.88912300 0.60154251 0.32561672 1.0 Ta Ta10 1 0.18361708 0.10159890 0.82569665 1.0 Ta Ta11 1 0.11087700 0.39845749 0.67438328 1.0 Ta Ta12 1 0.64168566 0.02519200 0.39678825 1.0 Ta Ta13 1 0.06382385 0.47485847 0.10320961 1.0 Ta Ta14 1 0.35831434 0.97480800 0.60321175 1.0 Ta Ta15 1 0.93617615 0.52514153 0.89679039 1.0 Ta Ta16 1 0.21346437 0.89474415 0.31735571 1.0 Ta Ta17 1 0.42554958 0.60523526 0.18254842 1.0 Ta Ta18 1 0.78653563 0.10525585 0.68264429 1.0 Ta Ta19 1 0.57445042 0.39476474 0.81745158 1.0 Ta Ta20 1 0.15910467 0.74365110 0.75182118 1.0 Ta Ta21 1 0.65449376 0.75643586 0.74827352 1.0 Ta Ta22 1 0.84089533 0.25634890 0.24817882 1.0 Ta Ta23 1 0.34550624 0.24356414 0.25172648 1.0 S S24 1 0.52242715 0.23870399 0.54357061 1.0 S S25 1 0.30451583 0.26125122 0.95645907 1.0 S S26 1 0.47757285 0.76129601 0.45642939 1.0 S S27 1 0.69548417 0.73874878 0.04354093 1.0