# generated using pymatgen data_Zr2Nb3GaSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92651301 _cell_length_b 6.92560633 _cell_length_c 12.77964460 _cell_angle_alpha 90.02313239 _cell_angle_beta 89.98704856 _cell_angle_gamma 90.03683801 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Nb3GaSi3 _chemical_formula_sum 'Zr8 Nb12 Ga4 Si12' _cell_volume 613.04322356 _cell_formula_units_Z 4 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 0.99982630 0.66601858 0.02971604 1.0 Zr Zr1 1 0.99949358 0.33969086 0.53184442 1.0 Zr Zr2 1 0.65725554 0.00077601 0.96916600 1.0 Zr Zr3 1 0.16188601 0.49973202 0.77992739 1.0 Zr Zr4 1 0.83436668 0.49944984 0.28056558 1.0 Zr Zr5 1 0.49947053 0.15721792 0.21845021 1.0 Zr Zr6 1 0.49988213 0.83780080 0.72034702 1.0 Zr Zr7 1 0.33925446 0.00011777 0.46846521 1.0 Nb Nb8 1 0.35260794 0.50263940 0.37806411 1.0 Nb Nb9 1 0.84556189 0.99972839 0.36965856 1.0 Nb Nb10 1 0.00216664 0.14769890 0.12834626 1.0 Nb Nb11 1 0.99932739 0.84508716 0.63099603 1.0 Nb Nb12 1 0.64850966 0.49712436 0.87598687 1.0 Nb Nb13 1 0.50262110 0.35201651 0.62480410 1.0 Nb Nb14 1 0.49887886 0.65479489 0.12219993 1.0 Nb Nb15 1 0.15527530 0.00079915 0.87205245 1.0 Nb Nb16 1 0.66660073 0.66560815 0.50023741 1.0 Nb Nb17 1 0.83090110 0.16991096 0.75024486 1.0 Nb Nb18 1 0.17168443 0.83568894 0.24903795 1.0 Nb Nb19 1 0.33587044 0.32828076 0.99902845 1.0 Ga Ga20 1 0.04141860 0.70193075 0.43526816 1.0 Ga Ga21 1 0.95911461 0.30036731 0.93688276 1.0 Ga Ga22 1 0.70196155 0.04087799 0.56403276 1.0 Ga Ga23 1 0.19878158 0.45869483 0.18543323 1.0 Si Si24 1 0.79919194 0.54431688 0.68705772 1.0 Si Si25 1 0.45621102 0.20093171 0.81238980 1.0 Si Si26 1 0.54474651 0.79720381 0.31382443 1.0 Si Si27 1 0.29655585 0.95592092 0.06272288 1.0 Si Si28 1 0.86380655 0.79189022 0.82344826 1.0 Si Si29 1 0.13564287 0.21010624 0.32336605 1.0 Si Si30 1 0.79195025 0.86249669 0.17785215 1.0 Si Si31 1 0.29215596 0.63701428 0.57206168 1.0 Si Si32 1 0.70882228 0.36455702 0.07330227 1.0 Si Si33 1 0.63636645 0.29132482 0.42822991 1.0 Si Si34 1 0.36307705 0.70658343 0.92808084 1.0 Si Si35 1 0.20875722 0.13560170 0.67690826 1.0