# generated using pymatgen data_Ba7Ge6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20147236 _cell_length_b 9.09507235 _cell_length_c 24.94644017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba7Ge6 _chemical_formula_sum 'Ba28 Ge24' _cell_volume 1860.82942470 _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 Ba Ba0 1 0.46367157 0.68242723 0.33842698 1.0 Ba Ba1 1 0.96367157 0.81757277 0.16157302 1.0 Ba Ba2 1 0.53632843 0.31757277 0.83842698 1.0 Ba Ba3 1 0.03632843 0.18242723 0.66157302 1.0 Ba Ba4 1 0.53632843 0.31757277 0.66157302 1.0 Ba Ba5 1 0.03632843 0.18242723 0.83842698 1.0 Ba Ba6 1 0.46367157 0.68242723 0.16157302 1.0 Ba Ba7 1 0.96367157 0.81757277 0.33842698 1.0 Ba Ba8 1 0.37671471 0.81554046 0.86040081 1.0 Ba Ba9 1 0.87671471 0.68445954 0.63959919 1.0 Ba Ba10 1 0.62328529 0.18445954 0.36040081 1.0 Ba Ba11 1 0.12328529 0.31554046 0.13959919 1.0 Ba Ba12 1 0.62328529 0.18445954 0.13959919 1.0 Ba Ba13 1 0.12328529 0.31554046 0.36040081 1.0 Ba Ba14 1 0.37671471 0.81554046 0.63959919 1.0 Ba Ba15 1 0.87671471 0.68445954 0.86040081 1.0 Ba Ba16 1 0.15538821 0.67637208 0.48084617 1.0 Ba Ba17 1 0.65538821 0.82362792 0.01915383 1.0 Ba Ba18 1 0.84461179 0.32362792 0.98084617 1.0 Ba Ba19 1 0.34461179 0.17637208 0.51915383 1.0 Ba Ba20 1 0.84461179 0.32362792 0.51915383 1.0 Ba Ba21 1 0.34461179 0.17637208 0.98084617 1.0 Ba Ba22 1 0.15538821 0.67637208 0.01915383 1.0 Ba Ba23 1 0.65538821 0.82362792 0.48084617 1.0 Ba Ba24 1 0.20997981 0.53200145 0.75000000 1.0 Ba Ba25 1 0.70997981 0.96799855 0.75000000 1.0 Ba Ba26 1 0.79002019 0.46799855 0.25000000 1.0 Ba Ba27 1 0.29002019 0.03200145 0.25000000 1.0 Ge Ge28 1 0.49440470 0.53471317 0.94943802 1.0 Ge Ge29 1 0.99440470 0.96528683 0.55056198 1.0 Ge Ge30 1 0.50559530 0.46528683 0.44943802 1.0 Ge Ge31 1 0.00559530 0.03471317 0.05056198 1.0 Ge Ge32 1 0.50559530 0.46528683 0.05056198 1.0 Ge Ge33 1 0.00559530 0.03471317 0.44943802 1.0 Ge Ge34 1 0.49440470 0.53471317 0.55056198 1.0 Ge Ge35 1 0.99440470 0.96528683 0.94943802 1.0 Ge Ge36 1 0.28893791 0.97487304 0.40477960 1.0 Ge Ge37 1 0.78893791 0.52512696 0.09522040 1.0 Ge Ge38 1 0.71106209 0.02512696 0.90477960 1.0 Ge Ge39 1 0.21106209 0.47487304 0.59522040 1.0 Ge Ge40 1 0.71106209 0.02512696 0.59522040 1.0 Ge Ge41 1 0.21106209 0.47487304 0.90477960 1.0 Ge Ge42 1 0.28893791 0.97487304 0.09522040 1.0 Ge Ge43 1 0.78893791 0.52512696 0.40477960 1.0 Ge Ge44 1 0.33015741 0.08402129 0.75000000 1.0 Ge Ge45 1 0.83015741 0.41597871 0.75000000 1.0 Ge Ge46 1 0.66984259 0.91597871 0.25000000 1.0 Ge Ge47 1 0.16984259 0.58402129 0.25000000 1.0 Ge Ge48 1 0.11109569 0.88723869 0.75000000 1.0 Ge Ge49 1 0.61109569 0.61276131 0.75000000 1.0 Ge Ge50 1 0.88890431 0.11276131 0.25000000 1.0 Ge Ge51 1 0.38890431 0.38723869 0.25000000 1.0