# generated using pymatgen data_Zr8Be3Nb12Si13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85921645 _cell_length_b 6.85588232 _cell_length_c 12.62997259 _cell_angle_alpha 89.91111376 _cell_angle_beta 90.00097982 _cell_angle_gamma 89.69246393 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Be3Nb12Si13 _chemical_formula_sum 'Zr8 Be3 Nb12 Si13' _cell_volume 593.92757775 _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 0.00110498 0.65580648 0.03057051 1.0 Zr Zr1 1 0.99863318 0.34355442 0.53141657 1.0 Zr Zr2 1 0.65894451 0.00137792 0.96795264 1.0 Zr Zr3 1 0.15461953 0.49537025 0.78388364 1.0 Zr Zr4 1 0.84280490 0.50203355 0.28501124 1.0 Zr Zr5 1 0.50005437 0.15913900 0.21742634 1.0 Zr Zr6 1 0.50186554 0.84321818 0.71521665 1.0 Zr Zr7 1 0.34381988 0.99843673 0.46883690 1.0 Be Be8 1 0.05274286 0.70288833 0.43901537 1.0 Be Be9 1 0.94793598 0.29697832 0.93857146 1.0 Be Be10 1 0.70242694 0.05247436 0.56153871 1.0 Nb Nb11 1 0.35135691 0.50361469 0.37683650 1.0 Nb Nb12 1 0.85197470 0.98830233 0.37686162 1.0 Nb Nb13 1 0.00568561 0.15159719 0.12677385 1.0 Nb Nb14 1 0.98816779 0.85191860 0.62349658 1.0 Nb Nb15 1 0.65098164 0.49475437 0.87608869 1.0 Nb Nb16 1 0.50311247 0.35083367 0.62352965 1.0 Nb Nb17 1 0.49750159 0.64906306 0.12339851 1.0 Nb Nb18 1 0.14699115 0.00996208 0.87416248 1.0 Nb Nb19 1 0.67321301 0.67348996 0.50019095 1.0 Nb Nb20 1 0.82800339 0.17169451 0.74974370 1.0 Nb Nb21 1 0.17166720 0.82805935 0.25135221 1.0 Nb Nb22 1 0.32750068 0.32881732 0.99990872 1.0 Si Si23 1 0.20125775 0.45367312 0.18795676 1.0 Si Si24 1 0.79823665 0.54669301 0.68627084 1.0 Si Si25 1 0.45284638 0.20184293 0.81201035 1.0 Si Si26 1 0.54724330 0.79844813 0.31414998 1.0 Si Si27 1 0.29729832 0.95241570 0.06258569 1.0 Si Si28 1 0.86350090 0.79255813 0.82194017 1.0 Si Si29 1 0.13556908 0.20753594 0.32483911 1.0 Si Si30 1 0.79438802 0.86252246 0.17851058 1.0 Si Si31 1 0.28454597 0.63948535 0.56818106 1.0 Si Si32 1 0.71539409 0.36186587 0.06761327 1.0 Si Si33 1 0.63979177 0.28463369 0.43253524 1.0 Si Si34 1 0.36226717 0.70919894 0.92592326 1.0 Si Si35 1 0.20655079 0.13574106 0.67569822 1.0