# generated using pymatgen data_Zr24SiAs3Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68215140 _cell_length_b 12.66430322 _cell_length_c 15.67878977 _cell_angle_alpha 89.88034345 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24SiAs3Se8 _chemical_formula_sum 'Zr24 Si1 As3 Se8' _cell_volume 731.12987753 _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 0.34581227 0.48010136 1.0 Zr Zr1 1 0.00000000 0.65731393 0.51661371 1.0 Zr Zr2 1 0.50000000 0.15338455 0.97999071 1.0 Zr Zr3 1 0.50000000 0.84626109 0.02012513 1.0 Zr Zr4 1 0.00000000 0.08584571 0.57848176 1.0 Zr Zr5 1 0.00000000 0.91320398 0.42337324 1.0 Zr Zr6 1 0.50000000 0.41391688 0.07840535 1.0 Zr Zr7 1 0.50000000 0.58610365 0.92186824 1.0 Zr Zr8 1 0.00000000 0.69283136 0.29427910 1.0 Zr Zr9 1 0.00000000 0.30681592 0.70600209 1.0 Zr Zr10 1 0.50000000 0.80638940 0.79383175 1.0 Zr Zr11 1 0.50000000 0.19322338 0.20597790 1.0 Zr Zr12 1 0.00000000 0.03023728 0.10949274 1.0 Zr Zr13 1 0.00000000 0.96980081 0.89066593 1.0 Zr Zr14 1 0.50000000 0.47019017 0.60848560 1.0 Zr Zr15 1 0.50000000 0.53108536 0.39131548 1.0 Zr Zr16 1 0.00000000 0.61925129 0.07732931 1.0 Zr Zr17 1 0.00000000 0.38072684 0.92309100 1.0 Zr Zr18 1 0.50000000 0.88098245 0.57708695 1.0 Zr Zr19 1 0.50000000 0.11841634 0.42311793 1.0 Zr Zr20 1 0.00000000 0.41026804 0.24340241 1.0 Zr Zr21 1 0.00000000 0.58847351 0.75611388 1.0 Zr Zr22 1 0.50000000 0.08900030 0.74370851 1.0 Zr Zr23 1 0.50000000 0.91045664 0.25798825 1.0 Si Si24 1 0.50000000 0.75679769 0.41108669 1.0 As As25 1 0.00000000 0.25482962 0.08589150 1.0 As As26 1 0.00000000 0.74517934 0.91423146 1.0 As As27 1 0.50000000 0.24500251 0.58635248 1.0 Se Se28 1 0.00000000 0.81487958 0.15114923 1.0 Se Se29 1 0.00000000 0.18591366 0.85008122 1.0 Se Se30 1 0.50000000 0.68546640 0.64926237 1.0 Se Se31 1 0.50000000 0.31372742 0.35019324 1.0 Se Se32 1 0.00000000 0.06880379 0.29299003 1.0 Se Se33 1 0.00000000 0.93059391 0.70750231 1.0 Se Se34 1 0.50000000 0.43039131 0.79268365 1.0 Se Se35 1 0.50000000 0.56842262 0.20773151 1.0