# generated using pymatgen data_Zr4Nb6Ga5Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97722031 _cell_length_b 6.99993065 _cell_length_c 12.86985765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.85455185 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb6Ga5Si3 _chemical_formula_sum 'Zr8 Nb12 Ga10 Si6' _cell_volume 628.56257244 _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 Zr Zr0 1 0.00140390 0.66140467 0.03342891 1.0 Zr Zr1 1 0.99859610 0.33859533 0.53342891 1.0 Zr Zr2 1 0.66160420 0.00230242 0.97103055 1.0 Zr Zr3 1 0.16633793 0.49794358 0.77953831 1.0 Zr Zr4 1 0.83366207 0.50205642 0.27953831 1.0 Zr Zr5 1 0.50453622 0.16440175 0.21820561 1.0 Zr Zr6 1 0.49546378 0.83559825 0.71820561 1.0 Zr Zr7 1 0.33839580 0.99769758 0.47103055 1.0 Nb Nb8 1 0.35426084 0.50329383 0.38009361 1.0 Nb Nb9 1 0.84624853 0.99585989 0.37014151 1.0 Nb Nb10 1 0.99759388 0.14966411 0.12868741 1.0 Nb Nb11 1 0.00240612 0.85033589 0.62868741 1.0 Nb Nb12 1 0.64573916 0.49670617 0.88009361 1.0 Nb Nb13 1 0.50106030 0.35091701 0.61938410 1.0 Nb Nb14 1 0.49893970 0.64908299 0.11938410 1.0 Nb Nb15 1 0.15375147 0.00414011 0.87014151 1.0 Nb Nb16 1 0.66445087 0.66547866 0.49947828 1.0 Nb Nb17 1 0.83766152 0.16912083 0.74903349 1.0 Nb Nb18 1 0.16233848 0.83087917 0.24903349 1.0 Nb Nb19 1 0.33554913 0.33452134 0.99947828 1.0 Ga Ga20 1 0.04002557 0.69839125 0.43565871 1.0 Ga Ga21 1 0.95997443 0.30160875 0.93565871 1.0 Ga Ga22 1 0.70062663 0.03943863 0.56456046 1.0 Ga Ga23 1 0.20059082 0.45715676 0.18708666 1.0 Ga Ga24 1 0.79940918 0.54284324 0.68708666 1.0 Ga Ga25 1 0.46295762 0.19792581 0.81244860 1.0 Ga Ga26 1 0.53704238 0.80207419 0.31244860 1.0 Ga Ga27 1 0.29937337 0.96056137 0.06456046 1.0 Ga Ga28 1 0.86129149 0.79273793 0.82559448 1.0 Ga Ga29 1 0.13870851 0.20726207 0.32559448 1.0 Si Si30 1 0.79044912 0.86252175 0.17666945 1.0 Si Si31 1 0.29111294 0.63654992 0.57241822 1.0 Si Si32 1 0.70888706 0.36345008 0.07241822 1.0 Si Si33 1 0.63863310 0.29029962 0.42654063 1.0 Si Si34 1 0.36136690 0.70970038 0.92654063 1.0 Si Si35 1 0.20955088 0.13747825 0.67666945 1.0