# generated using pymatgen data_ZrSc5Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03748866 _cell_length_b 10.64861253 _cell_length_c 19.85972553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc5Te3 _chemical_formula_sum 'Zr4 Sc20 Te12' _cell_volume 853.84213451 _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 Zr Zr0 1 0.25000000 0.90099543 0.49592921 1.0 Zr Zr1 1 0.75000000 0.09900457 0.50407079 1.0 Zr Zr2 1 0.75000000 0.40099543 0.00407079 1.0 Zr Zr3 1 0.25000000 0.59900457 0.99592921 1.0 Sc Sc4 1 0.25000000 0.06898175 0.63235694 1.0 Sc Sc5 1 0.75000000 0.93101825 0.36764306 1.0 Sc Sc6 1 0.75000000 0.56898175 0.86764306 1.0 Sc Sc7 1 0.25000000 0.43101825 0.13235694 1.0 Sc Sc8 1 0.25000000 0.37458854 0.53004228 1.0 Sc Sc9 1 0.75000000 0.62541146 0.46995772 1.0 Sc Sc10 1 0.75000000 0.87458854 0.96995772 1.0 Sc Sc11 1 0.25000000 0.12541146 0.03004228 1.0 Sc Sc12 1 0.75000000 0.66190936 0.10335534 1.0 Sc Sc13 1 0.25000000 0.33809064 0.89664466 1.0 Sc Sc14 1 0.25000000 0.16190936 0.39664466 1.0 Sc Sc15 1 0.75000000 0.83809064 0.60335534 1.0 Sc Sc16 1 0.75000000 0.96764578 0.16554226 1.0 Sc Sc17 1 0.25000000 0.03235422 0.83445774 1.0 Sc Sc18 1 0.25000000 0.46764578 0.33445774 1.0 Sc Sc19 1 0.75000000 0.53235422 0.66554226 1.0 Sc Sc20 1 0.25000000 0.74508160 0.22722149 1.0 Sc Sc21 1 0.75000000 0.25491840 0.77277851 1.0 Sc Sc22 1 0.75000000 0.24508160 0.27277851 1.0 Sc Sc23 1 0.25000000 0.75491840 0.72722149 1.0 Te Te24 1 0.75000000 0.96781303 0.73374369 1.0 Te Te25 1 0.25000000 0.03218697 0.26625631 1.0 Te Te26 1 0.25000000 0.46781303 0.76625631 1.0 Te Te27 1 0.75000000 0.53218697 0.23374369 1.0 Te Te28 1 0.75000000 0.27532030 0.62471989 1.0 Te Te29 1 0.25000000 0.72467970 0.37528011 1.0 Te Te30 1 0.25000000 0.77532030 0.87528011 1.0 Te Te31 1 0.75000000 0.22467970 0.12471989 1.0 Te Te32 1 0.25000000 0.63941333 0.57658509 1.0 Te Te33 1 0.75000000 0.36058667 0.42341491 1.0 Te Te34 1 0.75000000 0.13941333 0.92341491 1.0 Te Te35 1 0.25000000 0.86058667 0.07658509 1.0