# generated using pymatgen data_Zr24SbAs3Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68701140 _cell_length_b 12.74171163 _cell_length_c 15.75025662 _cell_angle_alpha 90.06622750 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24SbAs3Se8 _chemical_formula_sum 'Zr24 Sb1 As3 Se8' _cell_volume 739.92822896 _cell_formula_units_Z 1 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 0.00000000 0.34570017 0.47982325 1.0 Zr Zr1 1 0.00000000 0.64161584 0.52521464 1.0 Zr Zr2 1 0.50000000 0.15349678 0.97963090 1.0 Zr Zr3 1 0.50000000 0.84632248 0.01925484 1.0 Zr Zr4 1 0.00000000 0.08674819 0.58009566 1.0 Zr Zr5 1 0.00000000 0.92590633 0.42416354 1.0 Zr Zr6 1 0.50000000 0.41296052 0.07679928 1.0 Zr Zr7 1 0.50000000 0.58603724 0.92142560 1.0 Zr Zr8 1 0.00000000 0.68833714 0.28686171 1.0 Zr Zr9 1 0.00000000 0.30642020 0.70647341 1.0 Zr Zr10 1 0.50000000 0.80711145 0.79516009 1.0 Zr Zr11 1 0.50000000 0.19365347 0.20462554 1.0 Zr Zr12 1 0.00000000 0.03067080 0.10841034 1.0 Zr Zr13 1 0.00000000 0.96985683 0.89137809 1.0 Zr Zr14 1 0.50000000 0.46808237 0.61072384 1.0 Zr Zr15 1 0.50000000 0.52549764 0.38894834 1.0 Zr Zr16 1 0.00000000 0.61953410 0.07599601 1.0 Zr Zr17 1 0.00000000 0.38089223 0.92238789 1.0 Zr Zr18 1 0.50000000 0.88287738 0.58079588 1.0 Zr Zr19 1 0.50000000 0.12278562 0.42395837 1.0 Zr Zr20 1 0.00000000 0.40967999 0.24140744 1.0 Zr Zr21 1 0.00000000 0.58896361 0.75749351 1.0 Zr Zr22 1 0.50000000 0.08854276 0.74508234 1.0 Zr Zr23 1 0.50000000 0.91493825 0.25579173 1.0 Sb Sb24 1 0.50000000 0.75673354 0.41454967 1.0 As As25 1 0.00000000 0.25486646 0.08501155 1.0 As As26 1 0.00000000 0.74471233 0.91426291 1.0 As As27 1 0.50000000 0.24548215 0.58597654 1.0 Se Se28 1 0.00000000 0.81563563 0.14948340 1.0 Se Se29 1 0.00000000 0.18600606 0.85038889 1.0 Se Se30 1 0.50000000 0.68607822 0.65124122 1.0 Se Se31 1 0.50000000 0.31366360 0.34884748 1.0 Se Se32 1 0.00000000 0.07273932 0.29155687 1.0 Se Se33 1 0.00000000 0.93080758 0.70960628 1.0 Se Se34 1 0.50000000 0.43055531 0.79263896 1.0 Se Se35 1 0.50000000 0.56608642 0.20453198 1.0