# generated using pymatgen data_Zr4Ta6Ga5Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84697902 _cell_length_b 6.95985533 _cell_length_c 13.25358241 _cell_angle_alpha 89.97208527 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ta6Ga5Ge3 _chemical_formula_sum 'Zr8 Ta12 Ga10 Ge6' _cell_volume 631.58592243 _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 0.49306686 0.67401407 0.59293158 1.0 Zr Zr1 1 0.99306686 0.82598593 0.90706842 1.0 Zr Zr2 1 0.50759857 0.32589680 0.09460622 1.0 Zr Zr3 1 0.00759857 0.17410320 0.40539378 1.0 Zr Zr4 1 0.50345958 0.32603920 0.40476232 1.0 Zr Zr5 1 0.00345958 0.17396080 0.09523768 1.0 Zr Zr6 1 0.49746134 0.67374943 0.90640586 1.0 Zr Zr7 1 0.99746134 0.82625057 0.59359414 1.0 Ta Ta8 1 0.65487308 0.17525361 0.62758143 1.0 Ta Ta9 1 0.15487308 0.32474639 0.87241857 1.0 Ta Ta10 1 0.34292333 0.82641357 0.12663118 1.0 Ta Ta11 1 0.84292333 0.67358643 0.37336882 1.0 Ta Ta12 1 0.34131747 0.82775479 0.37424009 1.0 Ta Ta13 1 0.84131747 0.67224521 0.12575991 1.0 Ta Ta14 1 0.65719611 0.17368746 0.87329707 1.0 Ta Ta15 1 0.15719611 0.32631254 0.62670293 1.0 Ta Ta16 1 0.83615396 0.48696461 0.75051450 1.0 Ta Ta17 1 0.33615396 0.01303539 0.74948550 1.0 Ta Ta18 1 0.16510302 0.50979255 0.25055066 1.0 Ta Ta19 1 0.66510302 0.99020745 0.24944934 1.0 Ga Ga20 1 0.68101756 0.96452500 0.46199869 1.0 Ga Ga21 1 0.18101756 0.53547500 0.03800131 1.0 Ga Ga22 1 0.32016709 0.03541244 0.96086799 1.0 Ga Ga23 1 0.82016709 0.46458756 0.53913201 1.0 Ga Ga24 1 0.45670581 0.39377123 0.75033689 1.0 Ga Ga25 1 0.95670581 0.10622877 0.74966311 1.0 Ga Ga26 1 0.54092664 0.61138953 0.25026806 1.0 Ga Ga27 1 0.04092664 0.88861047 0.24973194 1.0 Ga Ga28 1 0.69806783 0.85349060 0.74904349 1.0 Ga Ga29 1 0.19806783 0.64650940 0.75095651 1.0 Ge Ge30 1 0.32508652 0.03737403 0.53842349 1.0 Ge Ge31 1 0.82508652 0.46262597 0.96157651 1.0 Ge Ge32 1 0.67600301 0.96234172 0.03734664 1.0 Ge Ge33 1 0.17600301 0.53765828 0.46265336 1.0 Ge Ge34 1 0.30287121 0.14253703 0.24921424 1.0 Ge Ge35 1 0.80287121 0.35746297 0.25078576 1.0