# generated using pymatgen data_Zr24SiAs7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01673357 _cell_length_b 11.03212200 _cell_length_c 5.46802741 _cell_angle_alpha 89.92393531 _cell_angle_beta 90.06599855 _cell_angle_gamma 90.01822742 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24SiAs7 _chemical_formula_sum 'Zr24 Si1 As7' _cell_volume 664.57177514 _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 0.91781495 0.60727708 0.54122253 1.0 Zr Zr1 1 0.08327116 0.39382307 0.53627756 1.0 Zr Zr2 1 0.89390093 0.41680612 0.03632393 1.0 Zr Zr3 1 0.10560598 0.58435633 0.03170764 1.0 Zr Zr4 1 0.58283384 0.89433154 0.96357214 1.0 Zr Zr5 1 0.41684001 0.10597234 0.96398782 1.0 Zr Zr6 1 0.60598712 0.08322491 0.46387280 1.0 Zr Zr7 1 0.39380047 0.91668068 0.46362352 1.0 Zr Zr8 1 0.86182477 0.97228657 0.71820301 1.0 Zr Zr9 1 0.13891683 0.02507504 0.71690307 1.0 Zr Zr10 1 0.52672437 0.36058391 0.21677815 1.0 Zr Zr11 1 0.47303365 0.63932247 0.21685571 1.0 Zr Zr12 1 0.63923298 0.52621005 0.78396026 1.0 Zr Zr13 1 0.36077433 0.47305015 0.78288855 1.0 Zr Zr14 1 0.97352499 0.13975159 0.28363248 1.0 Zr Zr15 1 0.02713838 0.85970142 0.28120646 1.0 Zr Zr16 1 0.81940862 0.71572679 0.00891090 1.0 Zr Zr17 1 0.18150797 0.28465053 0.01119206 1.0 Zr Zr18 1 0.78491602 0.31909645 0.51149805 1.0 Zr Zr19 1 0.21344259 0.68093701 0.51284232 1.0 Zr Zr20 1 0.68139926 0.78476841 0.48922673 1.0 Zr Zr21 1 0.31858203 0.21501186 0.48909765 1.0 Zr Zr22 1 0.71529461 0.18109764 0.98885095 1.0 Zr Zr23 1 0.28363464 0.81904135 0.98716874 1.0 Si Si24 1 0.04074063 0.79510426 0.78783604 1.0 As As25 1 0.79441496 0.95968366 0.21186887 1.0 As As26 1 0.20556051 0.04024861 0.21151602 1.0 As As27 1 0.54009821 0.29416247 0.71142522 1.0 As As28 1 0.45968541 0.70569961 0.71159285 1.0 As As29 1 0.70609748 0.54081008 0.28927163 1.0 As As30 1 0.29407524 0.45996786 0.28777091 1.0 As As31 1 0.95991702 0.20554112 0.78891445 1.0