# generated using pymatgen data_Zr8Nb12Ga3Si13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92109945 _cell_length_b 6.91137087 _cell_length_c 12.76426794 _cell_angle_alpha 90.00185298 _cell_angle_beta 89.94951042 _cell_angle_gamma 90.08148200 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Nb12Ga3Si13 _chemical_formula_sum 'Zr8 Nb12 Ga3 Si13' _cell_volume 610.56877751 _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 0.00187129 0.66248969 0.03182454 1.0 Zr Zr1 1 0.99951825 0.33979064 0.53170047 1.0 Zr Zr2 1 0.65690847 0.00072904 0.96918456 1.0 Zr Zr3 1 0.16208940 0.49990046 0.78055651 1.0 Zr Zr4 1 0.83800371 0.49952108 0.27992774 1.0 Zr Zr5 1 0.49844632 0.15950810 0.21772189 1.0 Zr Zr6 1 0.49936636 0.83783583 0.72023089 1.0 Zr Zr7 1 0.33943523 0.99989414 0.46830842 1.0 Nb Nb8 1 0.35232676 0.50249079 0.37536894 1.0 Nb Nb9 1 0.84494178 0.99989412 0.36905554 1.0 Nb Nb10 1 0.00421349 0.15255415 0.12914883 1.0 Nb Nb11 1 0.99963543 0.84483423 0.63091155 1.0 Nb Nb12 1 0.64810486 0.49747248 0.87615212 1.0 Nb Nb13 1 0.50234728 0.35205786 0.62456608 1.0 Nb Nb14 1 0.49551441 0.65228803 0.12354669 1.0 Nb Nb15 1 0.15555467 0.00009568 0.87212283 1.0 Nb Nb16 1 0.66668227 0.66594641 0.50005739 1.0 Nb Nb17 1 0.83040876 0.16979156 0.75025640 1.0 Nb Nb18 1 0.17130662 0.83198368 0.24799635 1.0 Nb Nb19 1 0.33395019 0.32982162 0.00096345 1.0 Ga Ga20 1 0.04183781 0.70277739 0.43563255 1.0 Ga Ga21 1 0.95843118 0.29946386 0.93632664 1.0 Ga Ga22 1 0.70212236 0.04113449 0.56382278 1.0 Si Si23 1 0.20103623 0.45545788 0.18721430 1.0 Si Si24 1 0.79911520 0.54425302 0.68731879 1.0 Si Si25 1 0.45562760 0.20131918 0.81271820 1.0 Si Si26 1 0.54501362 0.79889065 0.31355651 1.0 Si Si27 1 0.29612928 0.95573467 0.06239590 1.0 Si Si28 1 0.86356851 0.79166533 0.82342400 1.0 Si Si29 1 0.13580842 0.20948727 0.32322020 1.0 Si Si30 1 0.79100976 0.86399121 0.17738661 1.0 Si Si31 1 0.29222171 0.63682617 0.57175588 1.0 Si Si32 1 0.70875918 0.36482398 0.07231585 1.0 Si Si33 1 0.63663770 0.29209623 0.42789490 1.0 Si Si34 1 0.36354511 0.70723174 0.92815886 1.0 Si Si35 1 0.20851175 0.13594634 0.67725784 1.0