# generated using pymatgen data_Zr4Nb6Ga3Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94439912 _cell_length_b 6.94408230 _cell_length_c 12.82067777 _cell_angle_alpha 89.96478673 _cell_angle_beta 89.93149391 _cell_angle_gamma 89.99863377 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb6Ga3Si5 _chemical_formula_sum 'Zr8 Nb12 Ga6 Si10' _cell_volume 618.24430552 _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 0.00042342 0.66593600 0.03066337 1.0 Zr Zr1 1 0.00137732 0.33624021 0.52998201 1.0 Zr Zr2 1 0.65991952 0.99936394 0.97122339 1.0 Zr Zr3 1 0.16333083 0.50104884 0.78042128 1.0 Zr Zr4 1 0.83375574 0.50035155 0.28011269 1.0 Zr Zr5 1 0.49838229 0.15732649 0.21878385 1.0 Zr Zr6 1 0.49865740 0.83652604 0.72010248 1.0 Zr Zr7 1 0.33955999 0.99915594 0.46743031 1.0 Nb Nb8 1 0.35264467 0.50310126 0.37821631 1.0 Nb Nb9 1 0.84582547 0.99875654 0.36922483 1.0 Nb Nb10 1 0.00308921 0.14747784 0.12923547 1.0 Nb Nb11 1 0.00102626 0.85034063 0.63034948 1.0 Nb Nb12 1 0.65017128 0.50083474 0.88112911 1.0 Nb Nb13 1 0.49868173 0.35033404 0.61977659 1.0 Nb Nb14 1 0.49803027 0.65493841 0.12242421 1.0 Nb Nb15 1 0.15085009 0.99956531 0.87329183 1.0 Nb Nb16 1 0.66388649 0.66700761 0.49778625 1.0 Nb Nb17 1 0.83535580 0.16503050 0.75000170 1.0 Nb Nb18 1 0.17164485 0.83590825 0.24889758 1.0 Nb Nb19 1 0.33507861 0.33017064 0.00082563 1.0 Ga Ga20 1 0.04054724 0.70087761 0.43569614 1.0 Ga Ga21 1 0.95935785 0.30144072 0.93636357 1.0 Ga Ga22 1 0.70024334 0.04008523 0.56433953 1.0 Ga Ga23 1 0.19860277 0.45893420 0.18609072 1.0 Ga Ga24 1 0.79912349 0.54034417 0.68576960 1.0 Ga Ga25 1 0.46082493 0.20068206 0.81336257 1.0 Si Si26 1 0.54409803 0.79786320 0.31300285 1.0 Si Si27 1 0.29750299 0.95671938 0.06223904 1.0 Si Si28 1 0.86180955 0.79230612 0.82287776 1.0 Si Si29 1 0.13556559 0.21015664 0.32325513 1.0 Si Si30 1 0.79157885 0.86289126 0.17785869 1.0 Si Si31 1 0.29064971 0.63774650 0.57238621 1.0 Si Si32 1 0.70872886 0.36371587 0.07382074 1.0 Si Si33 1 0.63730436 0.29101076 0.42781607 1.0 Si Si34 1 0.36301505 0.70844699 0.92762303 1.0 Si Si35 1 0.20935618 0.13735951 0.67762199 1.0