# generated using pymatgen data_Ba9Ge23O57 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.88176730 _cell_length_b 11.88176730 _cell_length_c 19.50650700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.98703303 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba9Ge23O57 _chemical_formula_sum 'Ba18 Ge46 O114' _cell_volume 2385.22282558 _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 0.00023300 0.67722800 0.23769000 1.0 Ba Ba1 1 0.32269300 0.32269300 0.23771100 1.0 Ba Ba2 1 0.67722800 0.00023300 0.23769000 1.0 Ba Ba3 1 0.99976700 0.32277200 0.73769000 1.0 Ba Ba4 1 0.67730700 0.67730700 0.73771100 1.0 Ba Ba5 1 0.32277200 0.99976700 0.73769000 1.0 Ba Ba6 1 0.00002500 0.68521800 0.44786300 1.0 Ba Ba7 1 0.31478000 0.31478000 0.44787300 1.0 Ba Ba8 1 0.68521800 0.00002500 0.44786300 1.0 Ba Ba9 1 0.99997500 0.31478200 0.94786300 1.0 Ba Ba10 1 0.68522000 0.68522000 0.94787300 1.0 Ba Ba11 1 0.31478200 0.99997500 0.94786300 1.0 Ba Ba12 1 0.99998000 0.69507000 0.02967600 1.0 Ba Ba13 1 0.30498300 0.30498300 0.02974000 1.0 Ba Ba14 1 0.69507000 0.99998000 0.02967600 1.0 Ba Ba15 1 0.00002000 0.30493000 0.52967600 1.0 Ba Ba16 1 0.69501700 0.69501700 0.52974000 1.0 Ba Ba17 1 0.30493000 0.00002000 0.52967600 1.0 Ge Ge18 1 0.00006500 0.00006500 0.50211800 1.0 Ge Ge19 1 0.99993500 0.99993500 0.00211800 1.0 Ge Ge20 1 0.33334400 0.66666800 0.22748000 1.0 Ge Ge21 1 0.66666800 0.33334400 0.22748000 1.0 Ge Ge22 1 0.66665600 0.33333200 0.72748000 1.0 Ge Ge23 1 0.33333200 0.66665600 0.72748000 1.0 Ge Ge24 1 0.33332700 0.66664700 0.47682700 1.0 Ge Ge25 1 0.66664700 0.33332700 0.47682700 1.0 Ge Ge26 1 0.66667300 0.33335300 0.97682700 1.0 Ge Ge27 1 0.33335300 0.66667300 0.97682700 1.0 Ge Ge28 1 0.99997000 0.83728900 0.64696100 1.0 Ge Ge29 1 0.16270900 0.16270900 0.64696200 1.0 Ge Ge30 1 0.83728900 0.99997000 0.64696100 1.0 Ge Ge31 1 0.00003000 0.16271100 0.14696100 1.0 Ge Ge32 1 0.83729100 0.83729100 0.14696200 1.0 Ge Ge33 1 0.16271100 0.00003000 0.14696100 1.0 Ge Ge34 1 0.00009200 0.83339300 0.85535700 1.0 Ge Ge35 1 0.16665800 0.16665800 0.85561300 1.0 Ge Ge36 1 0.83339300 0.00009200 0.85535700 1.0 Ge Ge37 1 0.99990800 0.16660700 0.35535700 1.0 Ge Ge38 1 0.83334200 0.83334200 0.35561300 1.0 Ge Ge39 1 0.16660700 0.99990800 0.35535700 1.0 Ge Ge40 1 0.15167000 0.66253100 0.84979700 1.0 Ge Ge41 1 0.33745600 0.48910300 0.84979700 1.0 Ge Ge42 1 0.51093700 0.84835300 0.84980500 1.0 Ge Ge43 1 0.66253100 0.15167000 0.84979700 1.0 Ge Ge44 1 0.48910300 0.33745600 0.84979700 1.0 Ge Ge45 1 0.84835300 0.51093700 0.84980500 1.0 Ge Ge46 1 0.84833000 0.33746900 0.34979700 1.0 Ge Ge47 1 0.66254400 0.51089700 0.34979700 1.0 Ge Ge48 1 0.48906300 0.15164700 0.34980500 1.0 Ge Ge49 1 0.33746900 0.84833000 0.34979700 1.0 Ge Ge50 1 0.51089700 0.66254400 0.34979700 1.0 Ge Ge51 1 0.15164700 0.48906300 0.34980500 1.0 Ge Ge52 1 0.15479900 0.66972900 0.60873400 1.0 Ge Ge53 1 0.33023100 0.48504800 0.60873800 1.0 Ge Ge54 1 0.51495600 0.84519300 0.60874500 1.0 Ge Ge55 1 0.66972900 0.15479900 0.60873400 1.0 Ge Ge56 1 0.48504800 0.33023100 0.60873800 1.0 Ge Ge57 1 0.84519300 0.51495600 0.60874500 1.0 Ge Ge58 1 0.84520100 0.33027100 0.10873400 1.0 Ge Ge59 1 0.66976900 0.51495200 0.10873800 1.0 Ge Ge60 1 0.48504400 0.15480700 0.10874500 1.0 Ge Ge61 1 0.33027100 0.84520100 0.10873400 1.0 Ge Ge62 1 0.51495200 0.66976900 0.10873800 1.0 Ge Ge63 1 0.15480700 0.48504400 0.10874500 1.0 O O64 1 0.99999400 0.86827800 0.94897800 1.0 O O65 1 0.13185800 0.13185800 0.94929500 1.0 O O66 1 0.86827800 0.99999400 0.94897800 1.0 O O67 1 0.00000600 0.13172200 0.44897800 1.0 O O68 1 0.86814200 0.86814200 0.44929500 1.0 O O69 1 0.13172200 0.00000600 0.44897800 1.0 O O70 1 0.99999500 0.86505100 0.16895400 1.0 O O71 1 0.13486000 0.13486000 0.16901100 1.0 O O72 1 0.86505100 0.99999500 0.16895400 1.0 O O73 1 0.00000500 0.13494900 0.66895400 1.0 O O74 1 0.86514000 0.86514000 0.66901100 1.0 O O75 1 0.13494900 0.00000500 0.66895400 1.0 O O76 1 0.00001000 0.85918500 0.55231500 1.0 O O77 1 0.14077700 0.14077700 0.55228700 1.0 O O78 1 0.85918500 0.00001000 0.55231500 1.0 O O79 1 0.99999000 0.14081500 0.05231500 1.0 O O80 1 0.85922300 0.85922300 0.05228700 1.0 O O81 1 0.14081500 0.99999000 0.05231500 1.0 O O82 1 0.99975400 0.85498000 0.33779400 1.0 O O83 1 0.14497400 0.14497400 0.33767100 1.0 O O84 1 0.85498000 0.99975400 0.33779400 1.0 O O85 1 0.00024600 0.14502000 0.83779400 1.0 O O86 1 0.85502600 0.85502600 0.83767100 1.0 O O87 1 0.14502000 0.00024600 0.83779400 1.0 O O88 1 0.13949400 0.79923500 0.64218400 1.0 O O89 1 0.20068200 0.34023800 0.64215500 1.0 O O90 1 0.65979200 0.86048800 0.64213800 1.0 O O91 1 0.79923500 0.13949400 0.64218400 1.0 O O92 1 0.34023800 0.20068200 0.64215500 1.0 O O93 1 0.86048800 0.65979200 0.64213800 1.0 O O94 1 0.86050600 0.20076500 0.14218400 1.0 O O95 1 0.79931800 0.65976200 0.14215500 1.0 O O96 1 0.34020800 0.13951200 0.14213800 1.0 O O97 1 0.20076500 0.86050600 0.14218400 1.0 O O98 1 0.65976200 0.79931800 0.14215500 1.0 O O99 1 0.13951200 0.34020800 0.14213800 1.0 O O100 1 0.25280300 0.73591900 0.28383300 1.0 O O101 1 0.26412400 0.51692900 0.28384300 1.0 O O102 1 0.48309400 0.74721600 0.28385400 1.0 O O103 1 0.73591900 0.25280300 0.28383300 1.0 O O104 1 0.51692900 0.26412400 0.28384300 1.0 O O105 1 0.74721600 0.48309400 0.28385400 1.0 O O106 1 0.74719700 0.26408100 0.78383300 1.0 O O107 1 0.73587600 0.48307100 0.78384300 1.0 O O108 1 0.51690600 0.25278400 0.78385400 1.0 O O109 1 0.26408100 0.74719700 0.78383300 1.0 O O110 1 0.48307100 0.73587600 0.78384300 1.0 O O111 1 0.25278400 0.51690600 0.78385400 1.0 O O112 1 0.99973600 0.79035400 0.76272400 1.0 O O113 1 0.20947900 0.20947900 0.76245300 1.0 O O114 1 0.79035400 0.99973600 0.76272400 1.0 O O115 1 0.00026400 0.20964600 0.26272400 1.0 O O116 1 0.79052100 0.79052100 0.26245300 1.0 O O117 1 0.20964600 0.00026400 0.26272400 1.0 O O118 1 0.99999100 0.55056900 0.57020000 1.0 O O119 1 0.44941300 0.44941300 0.57020400 1.0 O O120 1 0.55056900 0.99999100 0.57020000 1.0 O O121 1 0.00000900 0.44943100 0.07020000 1.0 O O122 1 0.55058700 0.55058700 0.07020400 1.0 O O123 1 0.44943100 0.00000900 0.07020000 1.0 O O124 1 0.99999400 0.53017700 0.81692900 1.0 O O125 1 0.46993900 0.46993900 0.81694600 1.0 O O126 1 0.53017700 0.99999400 0.81692900 1.0 O O127 1 0.00000600 0.46982300 0.31692900 1.0 O O128 1 0.53006100 0.53006100 0.31694600 1.0 O O129 1 0.46982300 0.00000600 0.31692900 1.0 O O130 1 0.25202600 0.74085200 0.53379600 1.0 O O131 1 0.25916300 0.51120900 0.53380300 1.0 O O132 1 0.48880000 0.74796400 0.53380800 1.0 O O133 1 0.74085200 0.25202600 0.53379600 1.0 O O134 1 0.51120900 0.25916300 0.53380300 1.0 O O135 1 0.74796400 0.48880000 0.53380800 1.0 O O136 1 0.74797400 0.25914800 0.03379600 1.0 O O137 1 0.74083700 0.48879100 0.03380300 1.0 O O138 1 0.51120000 0.25203600 0.03380800 1.0 O O139 1 0.25914800 0.74797400 0.03379600 1.0 O O140 1 0.48879100 0.74083700 0.03380300 1.0 O O141 1 0.25203600 0.51120000 0.03380800 1.0 O O142 1 0.12913800 0.78571700 0.88607700 1.0 O O143 1 0.21428600 0.34340300 0.88608900 1.0 O O144 1 0.65655900 0.87081300 0.88613900 1.0 O O145 1 0.78571700 0.12913800 0.88607700 1.0 O O146 1 0.34340300 0.21428600 0.88608900 1.0 O O147 1 0.87081300 0.65655900 0.88613900 1.0 O O148 1 0.87086200 0.21428300 0.38607700 1.0 O O149 1 0.78571400 0.65659700 0.38608900 1.0 O O150 1 0.34344100 0.12918700 0.38613900 1.0 O O151 1 0.21428300 0.87086200 0.38607700 1.0 O O152 1 0.65659700 0.78571400 0.38608900 1.0 O O153 1 0.12918700 0.34344100 0.38613900 1.0 O O154 1 0.18299300 0.60708300 0.16876500 1.0 O O155 1 0.39288900 0.57590600 0.16876700 1.0 O O156 1 0.42407200 0.81698500 0.16877000 1.0 O O157 1 0.60708300 0.18299300 0.16876500 1.0 O O158 1 0.57590600 0.39288900 0.16876700 1.0 O O159 1 0.81698500 0.42407200 0.16877000 1.0 O O160 1 0.81700700 0.39291700 0.66876500 1.0 O O161 1 0.60711100 0.42409400 0.66876700 1.0 O O162 1 0.57592800 0.18301500 0.66877000 1.0 O O163 1 0.39291700 0.81700700 0.66876500 1.0 O O164 1 0.42409400 0.60711100 0.66876700 1.0 O O165 1 0.18301500 0.57592800 0.66877000 1.0 O O166 1 0.17958400 0.59475500 0.42093200 1.0 O O167 1 0.40525100 0.58483000 0.42095600 1.0 O O168 1 0.41518000 0.82042000 0.42096500 1.0 O O169 1 0.59475500 0.17958400 0.42093200 1.0 O O170 1 0.58482900 0.40525100 0.42095600 1.0 O O171 1 0.82042000 0.41518000 0.42096500 1.0 O O172 1 0.82041600 0.40524500 0.92093200 1.0 O O173 1 0.59474900 0.41517100 0.92095600 1.0 O O174 1 0.58482000 0.17958000 0.92096500 1.0 O O175 1 0.40524500 0.82041600 0.92093200 1.0 O O176 1 0.41517000 0.59474900 0.92095600 1.0 O O177 1 0.17958000 0.58482000 0.92096500 1.0