# generated using pymatgen data_Ba5Al2Ge7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79663282 _cell_length_b 6.79663222 _cell_length_c 18.60960304 _cell_angle_alpha 81.37659570 _cell_angle_beta 81.37662149 _cell_angle_gamma 100.16144775 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Al2Ge7 _chemical_formula_sum 'Ba10 Al4 Ge14' _cell_volume 822.74922550 _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 Ba Ba0 1 0.75130763 0.24872685 0.99998390 1.0 Ba Ba1 1 0.12453701 0.56967013 0.78936905 1.0 Ba Ba2 1 0.29046819 0.70953268 0.50001076 1.0 Ba Ba3 1 0.76049558 0.76049595 0.64387090 1.0 Ba Ba4 1 0.23946880 0.23946960 0.35614380 1.0 Ba Ba5 1 0.56966967 0.12453692 0.78936886 1.0 Ba Ba6 1 0.24872712 0.75130749 0.99998403 1.0 Ba Ba7 1 0.70953231 0.29046791 0.50001088 1.0 Ba Ba8 1 0.43030268 0.87544953 0.21062549 1.0 Ba Ba9 1 0.87544962 0.43030231 0.21062532 1.0 Al Al10 1 0.22443145 0.22443108 0.07162184 1.0 Al Al11 1 0.92296877 0.92296841 0.26690346 1.0 Al Al12 1 0.07699727 0.07699755 0.73311305 1.0 Al Al13 1 0.77560002 0.77559981 0.92834184 1.0 Ge Ge14 1 0.35873233 0.35873255 0.64417681 1.0 Ge Ge15 1 0.29496019 0.29495965 0.93369866 1.0 Ge Ge16 1 0.94048127 0.94048147 0.13231971 1.0 Ge Ge17 1 0.64126381 0.64126378 0.35582913 1.0 Ge Ge18 1 0.41506844 0.41506828 0.15187142 1.0 Ge Ge19 1 0.05952155 0.05952109 0.86771309 1.0 Ge Ge20 1 0.81933576 0.81933577 0.45237210 1.0 Ge Ge21 1 0.33319634 0.96294029 0.64234902 1.0 Ge Ge22 1 0.66683633 0.03706891 0.35764458 1.0 Ge Ge23 1 0.18065840 0.18065841 0.54760492 1.0 Ge Ge24 1 0.96294020 0.33319643 0.64234894 1.0 Ge Ge25 1 0.03706898 0.66683612 0.35764460 1.0 Ge Ge26 1 0.70503632 0.70503592 0.06632277 1.0 Ge Ge27 1 0.58494398 0.58494412 0.84813008 1.0