# generated using pymatgen data_Zr24As7Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01624176 _cell_length_b 11.02338785 _cell_length_c 5.47574403 _cell_angle_alpha 90.02408059 _cell_angle_beta 89.86356597 _cell_angle_gamma 90.01349289 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24As7Se _chemical_formula_sum 'Zr24 As7 Se1' _cell_volume 664.95216318 _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 0.89467525 0.58378929 0.03720776 1.0 Zr Zr1 1 0.10501101 0.41624974 0.03786530 1.0 Zr Zr2 1 0.91599170 0.39483950 0.53863147 1.0 Zr Zr3 1 0.08379877 0.60502799 0.53883877 1.0 Zr Zr4 1 0.60424689 0.91558467 0.46412673 1.0 Zr Zr5 1 0.39544151 0.08350404 0.46226872 1.0 Zr Zr6 1 0.58316920 0.10534802 0.96003421 1.0 Zr Zr7 1 0.41631090 0.89519437 0.96149129 1.0 Zr Zr8 1 0.86109786 0.02631479 0.71403574 1.0 Zr Zr9 1 0.13972092 0.97335092 0.71671006 1.0 Zr Zr10 1 0.47361769 0.36033245 0.21607076 1.0 Zr Zr11 1 0.52724472 0.63979409 0.21613870 1.0 Zr Zr12 1 0.63996490 0.47346049 0.78390344 1.0 Zr Zr13 1 0.36036483 0.52654457 0.78367878 1.0 Zr Zr14 1 0.02652754 0.13951194 0.28414171 1.0 Zr Zr15 1 0.97344252 0.86043651 0.28553131 1.0 Zr Zr16 1 0.28497353 0.18111036 0.98844722 1.0 Zr Zr17 1 0.71496421 0.81877045 0.98621699 1.0 Zr Zr18 1 0.31866245 0.78478663 0.48827603 1.0 Zr Zr19 1 0.68170417 0.21561401 0.48758325 1.0 Zr Zr20 1 0.21536105 0.31833761 0.51195616 1.0 Zr Zr21 1 0.78500155 0.68169590 0.51248819 1.0 Zr Zr22 1 0.18118180 0.71531809 0.01246136 1.0 Zr Zr23 1 0.81847276 0.28532667 0.01124149 1.0 As As24 1 0.20573162 0.96017993 0.21209299 1.0 As As25 1 0.46026366 0.29457912 0.71097455 1.0 As As26 1 0.53968685 0.70541676 0.71145723 1.0 As As27 1 0.70558671 0.46034011 0.28882051 1.0 As As28 1 0.29453868 0.53990431 0.28861573 1.0 As As29 1 0.03982436 0.20550537 0.78899517 1.0 As As30 1 0.96046072 0.79446642 0.78919891 1.0 Se Se31 1 0.79295668 0.03936386 0.21049945 1.0