title format pdffit scale 0.105629 sharp 0.000000, 0.391008, 2.360000 spcgr R-3m cell 2.831703, 2.831703, 19.287577, 90.000000, 90.000000,120.000000 dcell 0.000000, 0.000000, 0.000000, 0.000000, 0.000000, 0.000000 ncell 1, 1, 1, 27 atoms O 0.00000000 0.00000000 0.38191202 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00510236 0.00510236 0.20834446 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 O 0.66670001 0.33329999 0.71521199 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00510236 0.00510236 0.20834446 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 O 0.33329999 0.66670001 1.04861200 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00510236 0.00510236 0.20834446 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 O 0.00000000 0.00000000 0.61808801 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00510236 0.00510236 0.20834446 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 O 0.33329999 0.66670001 0.28478798 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00510236 0.00510236 0.20834446 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 O 0.66670001 0.33329999 0.95138800 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00510236 0.00510236 0.20834446 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 MN 0.00000000 0.00000000 0.00000000 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00582676 0.00582676 0.14839391 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 MN 0.66666698 0.33333299 0.33333299 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00582676 0.00582676 0.14839391 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 MN 0.33333299 0.66666698 0.66666698 1.0000 0.00000000 0.00000000 0.00000000 0.0000 0.00582676 0.00582676 0.14839391 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.50000000 0.00000000 0.50000000 0.5031 0.00000000 0.00000000 0.00000000 0.0095 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.16666700 0.33333299 0.83333302 0.5031 0.00000000 0.00000000 0.00000000 0.0095 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.83333302 0.66666698 0.16666700 0.5031 0.00000000 0.00000000 0.00000000 0.0095 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.00000000 0.50000000 0.50000000 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.66666698 0.83333302 0.83333302 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.33333299 0.16666700 0.16666700 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.50000000 0.50000000 0.50000000 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.16666700 0.83333302 0.83333302 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 K 0.83333302 0.16666700 0.16666700 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.50000000 0.00000000 0.50000000 0.5031 0.00000000 0.00000000 0.00000000 0.0095 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.16666700 0.33333299 0.83333302 0.5031 0.00000000 0.00000000 0.00000000 0.0095 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.83333302 0.66666698 0.16666700 0.5031 0.00000000 0.00000000 0.00000000 0.0095 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.00000000 0.50000000 0.50000000 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.66666698 0.83333302 0.83333302 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.33333299 0.16666700 0.16666700 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.50000000 0.50000000 0.50000000 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.16666700 0.83333302 0.83333302 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 LI 0.83333302 0.16666700 0.16666700 0.0000 0.00000000 0.00000000 0.00000000 0.0000 0.07137658 0.07137658 0.07137658 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000