# generated using pymatgen data_K3Be3B3P6O25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71849600 _cell_length_b 12.71849600 _cell_length_c 12.71849600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Be3B3P6O25 _chemical_formula_sum 'K12 Be12 B12 P24 O100' _cell_volume 2057.34569993 _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 K K0 1 0.90040100 0.90040100 0.90040100 1.0 K K1 1 0.09959900 0.40040100 0.59959900 1.0 K K2 1 0.40040100 0.59959900 0.09959900 1.0 K K3 1 0.59959900 0.09959900 0.40040100 1.0 K K4 1 0.65040100 0.84959900 0.15040100 1.0 K K5 1 0.84959900 0.15040100 0.65040100 1.0 K K6 1 0.34959900 0.34959900 0.34959900 1.0 K K7 1 0.15040100 0.65040100 0.84959900 1.0 K K8 1 0.87500000 0.37500000 0.12500000 1.0 K K9 1 0.37500000 0.12500000 0.87500000 1.0 K K10 1 0.12500000 0.87500000 0.37500000 1.0 K K11 1 0.62500000 0.62500000 0.62500000 1.0 Be Be12 1 0.93368800 0.87500000 0.18368800 1.0 Be Be13 1 0.81631200 0.43368800 0.62500000 1.0 Be Be14 1 0.37500000 0.31631200 0.06631200 1.0 Be Be15 1 0.43368800 0.62500000 0.81631200 1.0 Be Be16 1 0.31631200 0.06631200 0.37500000 1.0 Be Be17 1 0.87500000 0.18368800 0.93368800 1.0 Be Be18 1 0.06631200 0.37500000 0.31631200 1.0 Be Be19 1 0.18368800 0.93368800 0.87500000 1.0 Be Be20 1 0.62500000 0.81631200 0.43368800 1.0 Be Be21 1 0.56631200 0.12500000 0.68368800 1.0 Be Be22 1 0.68368800 0.56631200 0.12500000 1.0 Be Be23 1 0.12500000 0.68368800 0.56631200 1.0 B B24 1 0.10920600 0.62500000 0.14079400 1.0 B B25 1 0.85920600 0.60920600 0.87500000 1.0 B B26 1 0.12500000 0.35920600 0.89079400 1.0 B B27 1 0.60920600 0.87500000 0.85920600 1.0 B B28 1 0.35920600 0.89079400 0.12500000 1.0 B B29 1 0.62500000 0.14079400 0.10920600 1.0 B B30 1 0.89079400 0.12500000 0.35920600 1.0 B B31 1 0.14079400 0.10920600 0.62500000 1.0 B B32 1 0.87500000 0.85920600 0.60920600 1.0 B B33 1 0.39079400 0.37500000 0.64079400 1.0 B B34 1 0.64079400 0.39079400 0.37500000 1.0 B B35 1 0.37500000 0.64079400 0.39079400 1.0 P P36 1 0.83855900 0.08961400 0.14370900 1.0 P P37 1 0.85629100 0.33855900 0.41038600 1.0 P P38 1 0.58961400 0.35629100 0.16144100 1.0 P P39 1 0.33855900 0.41038600 0.85629100 1.0 P P40 1 0.35629100 0.16144100 0.58961400 1.0 P P41 1 0.08961400 0.14370900 0.83855900 1.0 P P42 1 0.16144100 0.58961400 0.35629100 1.0 P P43 1 0.14370900 0.83855900 0.08961400 1.0 P P44 1 0.41038600 0.85629100 0.33855900 1.0 P P45 1 0.66144100 0.91038600 0.64370900 1.0 P P46 1 0.64370900 0.66144100 0.91038600 1.0 P P47 1 0.91038600 0.64370900 0.66144100 1.0 P P48 1 0.89370900 0.66038600 0.08855900 1.0 P P49 1 0.91144100 0.39370900 0.83961400 1.0 P P50 1 0.16038600 0.41144100 0.10629100 1.0 P P51 1 0.39370900 0.83961400 0.91144100 1.0 P P52 1 0.41144100 0.10629100 0.16038600 1.0 P P53 1 0.66038600 0.08855900 0.89370900 1.0 P P54 1 0.10629100 0.16038600 0.41144100 1.0 P P55 1 0.08855900 0.89370900 0.66038600 1.0 P P56 1 0.83961400 0.91144100 0.39370900 1.0 P P57 1 0.60629100 0.33961400 0.58855900 1.0 P P58 1 0.58855900 0.60629100 0.33961400 1.0 P P59 1 0.33961400 0.58855900 0.60629100 1.0 O O60 1 0.87861700 0.77249600 0.12858000 1.0 O O61 1 0.87142000 0.37861700 0.72750400 1.0 O O62 1 0.27249600 0.37142000 0.12138300 1.0 O O63 1 0.37861700 0.72750400 0.87142000 1.0 O O64 1 0.37142000 0.12138300 0.27249600 1.0 O O65 1 0.77249600 0.12858000 0.87861700 1.0 O O66 1 0.12138300 0.27249600 0.37142000 1.0 O O67 1 0.12858000 0.87861700 0.77249600 1.0 O O68 1 0.72750400 0.87142000 0.37861700 1.0 O O69 1 0.62138300 0.22750400 0.62858000 1.0 O O70 1 0.62858000 0.62138300 0.22750400 1.0 O O71 1 0.22750400 0.62858000 0.62138300 1.0 O O72 1 0.87858000 0.97750400 0.12861700 1.0 O O73 1 0.87138300 0.37858000 0.52249600 1.0 O O74 1 0.47750400 0.37138300 0.12142000 1.0 O O75 1 0.37858000 0.52249600 0.87138300 1.0 O O76 1 0.37138300 0.12142000 0.47750400 1.0 O O77 1 0.97750400 0.12861700 0.87858000 1.0 O O78 1 0.12142000 0.47750400 0.37138300 1.0 O O79 1 0.12861700 0.87858000 0.97750400 1.0 O O80 1 0.52249600 0.87138300 0.37858000 1.0 O O81 1 0.62142000 0.02249600 0.62861700 1.0 O O82 1 0.62861700 0.62142000 0.02249600 1.0 O O83 1 0.02249600 0.62861700 0.62142000 1.0 O O84 1 0.80794900 0.58528100 0.12173400 1.0 O O85 1 0.87826600 0.30794900 0.91471900 1.0 O O86 1 0.08528100 0.37826600 0.19205100 1.0 O O87 1 0.30794900 0.91471900 0.87826600 1.0 O O88 1 0.37826600 0.19205100 0.08528100 1.0 O O89 1 0.58528100 0.12173400 0.80794900 1.0 O O90 1 0.19205100 0.08528100 0.37826600 1.0 O O91 1 0.12173400 0.80794900 0.58528100 1.0 O O92 1 0.91471900 0.87826600 0.30794900 1.0 O O93 1 0.69205100 0.41471900 0.62173400 1.0 O O94 1 0.62173400 0.69205100 0.41471900 1.0 O O95 1 0.41471900 0.62173400 0.69205100 1.0 O O96 1 0.87173400 0.16471900 0.05794900 1.0 O O97 1 0.94205100 0.37173400 0.33528100 1.0 O O98 1 0.66471900 0.44205100 0.12826600 1.0 O O99 1 0.37173400 0.33528100 0.94205100 1.0 O O100 1 0.44205100 0.12826600 0.66471900 1.0 O O101 1 0.16471900 0.05794900 0.87173400 1.0 O O102 1 0.12826600 0.66471900 0.44205100 1.0 O O103 1 0.05794900 0.87173400 0.16471900 1.0 O O104 1 0.33528100 0.94205100 0.37173400 1.0 O O105 1 0.62826600 0.83528100 0.55794900 1.0 O O106 1 0.55794900 0.62826600 0.83528100 1.0 O O107 1 0.83528100 0.55794900 0.62826600 1.0 O O108 1 0.89936500 0.67262100 0.96455400 1.0 O O109 1 0.03544600 0.39936400 0.82737900 1.0 O O110 1 0.17262100 0.53544600 0.10063500 1.0 O O111 1 0.39936400 0.82737900 0.03544600 1.0 O O112 1 0.53544600 0.10063500 0.17262100 1.0 O O113 1 0.67262100 0.96455400 0.89936500 1.0 O O114 1 0.10063500 0.17262100 0.53544600 1.0 O O115 1 0.96455400 0.89936500 0.67262100 1.0 O O116 1 0.82737900 0.03544600 0.39936400 1.0 O O117 1 0.60063500 0.32737900 0.46455400 1.0 O O118 1 0.46455400 0.60063500 0.32737900 1.0 O O119 1 0.32737900 0.46455400 0.60063500 1.0 O O120 1 0.71455400 0.07737900 0.14936400 1.0 O O121 1 0.85063500 0.21455400 0.42262100 1.0 O O122 1 0.57737900 0.35063500 0.28544600 1.0 O O123 1 0.21455400 0.42262100 0.85063500 1.0 O O124 1 0.35063500 0.28544600 0.57737900 1.0 O O125 1 0.07737900 0.14936400 0.71455400 1.0 O O126 1 0.28544600 0.57737900 0.35063500 1.0 O O127 1 0.14936400 0.71455400 0.07737900 1.0 O O128 1 0.42262100 0.85063500 0.21455400 1.0 O O129 1 0.78544600 0.92262100 0.64936400 1.0 O O130 1 0.64936400 0.78544600 0.92262100 1.0 O O131 1 0.92262100 0.64936400 0.78544600 1.0 O O132 1 0.87285400 0.14470100 0.24765900 1.0 O O133 1 0.75234100 0.37285400 0.35529900 1.0 O O134 1 0.64470100 0.25234100 0.12714600 1.0 O O135 1 0.37285400 0.35529900 0.75234100 1.0 O O136 1 0.25234100 0.12714600 0.64470100 1.0 O O137 1 0.14470100 0.24765900 0.87285400 1.0 O O138 1 0.12714600 0.64470100 0.25234100 1.0 O O139 1 0.24765900 0.87285400 0.14470100 1.0 O O140 1 0.35529900 0.75234100 0.37285400 1.0 O O141 1 0.62714600 0.85529900 0.74765900 1.0 O O142 1 0.74765900 0.62714600 0.85529900 1.0 O O143 1 0.85529900 0.74765900 0.62714600 1.0 O O144 1 0.99765900 0.60529900 0.12285400 1.0 O O145 1 0.87714600 0.49765900 0.89470100 1.0 O O146 1 0.10529900 0.37714600 0.00234100 1.0 O O147 1 0.49765900 0.89470100 0.87714600 1.0 O O148 1 0.37714600 0.00234100 0.10529900 1.0 O O149 1 0.60529900 0.12285400 0.99765900 1.0 O O150 1 0.00234100 0.10529900 0.37714600 1.0 O O151 1 0.12285400 0.99765900 0.60529900 1.0 O O152 1 0.89470100 0.87714600 0.49765900 1.0 O O153 1 0.50234100 0.39470100 0.62285400 1.0 O O154 1 0.62285400 0.50234100 0.39470100 1.0 O O155 1 0.39470100 0.62285400 0.50234100 1.0 O O156 1 0.62500000 0.37500000 0.87500000 1.0 O O157 1 0.12500000 0.12500000 0.12500000 1.0 O O158 1 0.87500000 0.62500000 0.37500000 1.0 O O159 1 0.37500000 0.87500000 0.62500000 1.0