# generated using pymatgen data_YZr3(Nb3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93186988 _cell_length_b 6.92776672 _cell_length_c 12.80033586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.10372886 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr3(Nb3Si4)2 _chemical_formula_sum 'Y2 Zr6 Nb12 Si16' _cell_volume 614.70155255 _cell_formula_units_Z 2 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 Y Y0 1 0.33940147 0.99707022 0.78135824 1.0 Y Y1 1 0.66059853 0.00292978 0.28135824 1.0 Zr Zr2 1 0.00420573 0.34456554 0.21637418 1.0 Zr Zr3 1 0.99579427 0.65543446 0.71637418 1.0 Zr Zr4 1 0.15909792 0.50236428 0.46835307 1.0 Zr Zr5 1 0.49758687 0.84082220 0.03325749 1.0 Zr Zr6 1 0.84090208 0.49763572 0.96835307 1.0 Zr Zr7 1 0.50241313 0.15917780 0.53325749 1.0 Nb Nb8 1 0.16922396 0.17115448 0.00038814 1.0 Nb Nb9 1 0.83077604 0.82884552 0.50038814 1.0 Nb Nb10 1 0.32681745 0.66834084 0.25011290 1.0 Nb Nb11 1 0.67318255 0.33165916 0.75011290 1.0 Nb Nb12 1 0.15181768 0.99488044 0.37693405 1.0 Nb Nb13 1 0.84818232 0.00511956 0.87693405 1.0 Nb Nb14 1 0.50698549 0.65186124 0.62545422 1.0 Nb Nb15 1 0.34922687 0.49662577 0.87446903 1.0 Nb Nb16 1 0.49301451 0.34813876 0.12545422 1.0 Nb Nb17 1 0.65077313 0.50337423 0.37446903 1.0 Nb Nb18 1 0.99771879 0.15529862 0.62263992 1.0 Nb Nb19 1 0.00228121 0.84470138 0.12263992 1.0 Si Si20 1 0.29189327 0.04573596 0.18675863 1.0 Si Si21 1 0.70810673 0.95426404 0.68675863 1.0 Si Si22 1 0.45340723 0.79656149 0.43806356 1.0 Si Si23 1 0.20227425 0.54560866 0.06255139 1.0 Si Si24 1 0.54659277 0.20343851 0.93806356 1.0 Si Si25 1 0.79772575 0.45439134 0.56255139 1.0 Si Si26 1 0.04553887 0.29989883 0.81310205 1.0 Si Si27 1 0.95446113 0.70010117 0.31310205 1.0 Si Si28 1 0.36044446 0.29421850 0.32212907 1.0 Si Si29 1 0.63955554 0.70578150 0.82212907 1.0 Si Si30 1 0.20705721 0.86342180 0.57052450 1.0 Si Si31 1 0.13200075 0.78846571 0.93038249 1.0 Si Si32 1 0.79294279 0.13657820 0.07052450 1.0 Si Si33 1 0.86799925 0.21153429 0.43038249 1.0 Si Si34 1 0.29239952 0.36879232 0.67715010 1.0 Si Si35 1 0.70760048 0.63120768 0.17715010 1.0