#MD System 2.0 @Title Bi2WO6_1.cif @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Occupancy double 1.0 Site int 1 WyckoffPosition int -1 @end @data 83 {} {0.02245232 0.01488243 0.07673227} Bi0 1.0 1 1 83 {} {0.97754768 0.51488243 0.92326773} Bi1 1.0 2 1 83 {} {0.47754768 0.51488243 0.07673227} Bi2 1.0 3 1 83 {} {0.52245232 0.01488243 0.92326773} Bi3 1.0 4 1 83 {} {0.97696386 0.02835772 0.42318393} Bi4 1.0 5 1 83 {} {0.02303614 0.52835772 0.57681607} Bi5 1.0 6 1 83 {} {0.52303614 0.52835772 0.42318393} Bi6 1.0 7 1 83 {} {0.47696386 0.02835772 0.57681607} Bi7 1.0 8 1 74 {} {0.49588165 0.9913662 0.24960895} W8 1.0 9 1 74 {} {0.50411835 0.4913662 0.75039105} W9 1.0 10 1 74 {} {0.00411835 0.4913662 0.24960895} W10 1.0 11 1 74 {} {0.99588165 0.9913662 0.75039105} W11 1.0 12 1 8 {} {0.92124813 0.42808824 0.35747707} O12 1.0 13 1 8 {} {0.07875187 0.92808824 0.64252293} O13 1.0 14 1 8 {} {0.57875187 0.92808824 0.35747707} O14 1.0 15 1 8 {} {0.42124813 0.42808824 0.64252293} O15 1.0 16 1 8 {} {0.27396554 0.67402815 0.26969535} O16 1.0 17 1 8 {} {0.72603446 0.17402815 0.73030465} O17 1.0 18 1 8 {} {0.22603446 0.17402815 0.26969535} O18 1.0 19 1 8 {} {0.77396554 0.67402815 0.73030465} O19 1.0 20 1 8 {} {0.78539865 0.73107683 0.22954223} O20 1.0 21 1 8 {} {0.21460135 0.23107683 0.77045777} O21 1.0 22 1 8 {} {0.71460135 0.23107683 0.22954223} O22 1.0 23 1 8 {} {0.28539865 0.73107683 0.77045777} O23 1.0 24 1 8 {} {0.92606126 0.91446651 0.85843823} O24 1.0 25 1 8 {} {0.07393874 0.41446651 0.14156177} O25 1.0 26 1 8 {} {0.57393874 0.41446651 0.85843823} O26 1.0 27 1 8 {} {0.42606126 0.91446651 0.14156177} O27 1.0 28 1 8 {} {0.73840207 0.73625633 0.00064912} O28 1.0 29 1 8 {} {0.26159793 0.23625633 0.99935088} O29 1.0 30 1 8 {} {0.76159793 0.23625633 0.00064912} O30 1.0 31 1 8 {} {0.23840207 0.73625633 0.99935088} O31 1.0 32 1 8 {} {0.76168038 0.7499776 0.50055732} O32 1.0 33 1 8 {} {0.23831962 0.2499776 0.49944268} O33 1.0 34 1 8 {} {0.73831962 0.2499776 0.50055732} O34 1.0 35 1 8 {} {0.26168038 0.7499776 0.49944268} O35 1.0 36 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {5.46815076 5.47499376 16.573484 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{5.46815076 0 0} {0 5.47499376 0} {0 0 16.573484}} {{0.182877181682 0 0} {0 0.182648609996 0} {0 0 0.060337343675}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 17 11 0 2 27 8 0 2 2 1 0 0 32 4 0 0 12 10 0 2 34 5 0 0 2 0 0 0 32 5 0 0 34 4 0 0 1 0 0 0 30 3 0 0 3 2 0 0 28 3 0 0 33 7 0 0 29 1 0 0 3 1 0 0 3 0 0 0 34 7 0 0 23 9 0 2 35 6 0 0 18 8 0 2 5 4 0 0 28 1 0 0 30 0 0 0 29 0 0 0 6 4 0 0 7 6 0 0 6 5 0 0 28 2 0 0 30 2 0 0 7 5 0 0 29 2 0 0 31 2 0 0 21 11 0 2 31 3 0 0 24 11 0 2 16 10 0 2 20 10 0 2 30 1 0 0 32 6 0 0 35 4 0 0 33 6 0 0 34 6 0 0 32 7 0 0 15 9 0 2 35 7 0 0 33 4 0 0 25 10 0 2 26 9 0 2 7 4 0 0 31 1 0 0 19 9 0 2 33 5 0 0 28 0 0 0 22 8 0 2 35 5 0 0 14 8 0 2 13 11 0 2 31 0 0 0 29 3 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 17 11 {0 -1 0} 0 1 8 27 {0 0 0} 0 2 2 1 {0 0 -1} 0 3 32 4 {0 1 0} 0 4 10 12 {-1 0 0} 0 5 5 34 {-1 0 0} 0 6 0 2 {0 0 0} 0 7 32 5 {1 0 0} 0 8 4 34 {0 0 0} 0 9 1 0 {1 0 1} 0 10 30 3 {0 0 -1} 0 11 3 2 {0 -1 1} 0 12 3 28 {0 -1 1} 0 13 33 7 {0 0 0} 0 14 1 29 {1 0 0} 0 15 1 3 {0 1 0} 0 16 3 0 {1 0 1} 0 17 34 7 {0 0 0} 0 18 9 23 {0 0 0} 0 19 6 35 {0 0 0} 0 11 3 2 {0 0 1} 0 20 18 8 {0 -1 0} 0 21 5 4 {-1 0 0} 0 22 28 1 {0 0 -1} 0 23 0 30 {-1 0 0} 0 24 0 29 {0 0 -1} 0 25 4 6 {0 0 0} 0 26 7 6 {0 -1 0} 0 27 5 6 {0 0 0} 0 28 28 2 {0 0 0} 0 29 30 2 {0 0 0} 0 26 7 6 {0 0 0} 0 30 5 7 {0 1 0} 0 31 29 2 {0 0 1} 0 32 31 2 {0 0 1} 0 33 11 21 {1 1 0} 0 34 31 3 {0 1 0} 0 35 24 11 {0 0 0} 0 36 10 16 {0 0 0} 0 37 10 20 {-1 0 0} 0 38 30 1 {0 0 -1} 0 39 32 6 {0 0 0} 0 40 4 35 {1 -1 0} 0 41 33 6 {0 0 0} 0 9 1 0 {1 1 1} 0 15 3 1 {0 0 0} 0 42 34 6 {0 0 0} 0 43 32 7 {0 1 0} 0 44 15 9 {0 0 0} 0 45 35 7 {0 1 0} 0 46 33 4 {-1 0 0} 0 47 10 25 {0 0 0} 0 21 5 4 {-1 1 0} 0 48 9 26 {0 0 0} 0 49 7 4 {-1 0 0} 0 50 31 1 {-1 0 0} 0 51 19 9 {0 0 0} 0 52 5 33 {0 0 0} 0 53 28 0 {1 1 0} 0 30 7 5 {0 0 0} 0 54 8 22 {0 1 0} 0 2 2 1 {-1 0 -1} 0 16 0 3 {0 0 -1} 0 55 35 5 {0 0 0} 0 56 14 8 {0 0 0} 0 57 11 13 {1 0 0} 0 6 0 2 {0 -1 0} 0 58 0 31 {0 -1 -1} 0 49 7 4 {0 0 0} 0 25 4 6 {0 -1 0} 0 59 3 29 {0 0 0} 0 27 5 6 {-1 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end