#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 Spin double 0.0 WyckoffPosition int -1 @end @data 83 {} {0.0242195487994 0.0157135312885 0.0763749570274} Bi0 1.0 1 0.0 1 83 {} {0.975780451201 0.515713531289 0.923625042973} Bi1 1.0 2 0.0 1 83 {} {0.475780451201 0.515713531289 0.0763749570274} Bi2 1.0 3 0.0 1 83 {} {0.524219548799 0.0157135312885 0.923625042973} Bi3 1.0 4 0.0 1 83 {} {0.975471602051 0.0291614781233 0.423548687567} Bi4 1.0 5 0.0 1 83 {} {0.0245283979494 0.529161478123 0.576451312433} Bi5 1.0 6 0.0 1 83 {} {0.524528397949 0.529161478123 0.423548687567} Bi6 1.0 7 0.0 1 83 {} {0.475471602051 0.0291614781233 0.576451312433} Bi7 1.0 8 0.0 1 74 {} {0.495667838045 0.991780059545 0.249822323324} W8 1.0 9 0.0 1 74 {} {0.504332161955 0.491780059545 0.750177676676} W9 1.0 10 0.0 1 74 {} {0.00433216195516 0.491780059545 0.249822323324} W10 1.0 11 0.0 1 74 {} {0.995667838045 0.991780059545 0.750177676676} W11 1.0 12 0.0 1 8 {} {0.918199066625 0.425355728657 0.356924152498} O12 1.0 13 0.0 1 8 {} {0.0818009333749 0.925355728657 0.643075847502} O13 1.0 14 0.0 1 8 {} {0.581800933375 0.925355728657 0.356924152498} O14 1.0 15 0.0 1 8 {} {0.418199066625 0.425355728657 0.643075847502} O15 1.0 16 0.0 1 8 {} {0.272912637227 0.672388947648 0.270825658807} O16 1.0 17 0.0 1 8 {} {0.727087362773 0.172388947648 0.729174341193} O17 1.0 18 0.0 1 8 {} {0.227087362773 0.172388947648 0.270825658807} O18 1.0 19 0.0 1 8 {} {0.772912637227 0.672388947648 0.729174341193} O19 1.0 20 0.0 1 8 {} {0.788297653662 0.731308946953 0.229121214422} O20 1.0 21 0.0 1 8 {} {0.211702346338 0.231308946953 0.770878785578} O21 1.0 22 0.0 1 8 {} {0.711702346338 0.231308946953 0.229121214422} O22 1.0 23 0.0 1 8 {} {0.288297653662 0.731308946953 0.770878785578} O23 1.0 24 0.0 1 8 {} {0.924219440262 0.910883289172 0.857603329535} O24 1.0 25 0.0 1 8 {} {0.075780559738 0.410883289172 0.142396670465} O25 1.0 26 0.0 1 8 {} {0.575780559738 0.410883289172 0.857603329535} O26 1.0 27 0.0 1 8 {} {0.424219440262 0.910883289172 0.142396670465} O27 1.0 28 0.0 1 8 {} {0.741022205452 0.738979494593 0.00205425390013} O28 1.0 29 0.0 1 8 {} {0.258977794548 0.238979494593 0.9979457461} O29 1.0 30 0.0 1 8 {} {0.758977794548 0.238979494593 0.00205425390013} O30 1.0 31 0.0 1 8 {} {0.241022205452 0.738979494593 0.9979457461} O31 1.0 32 0.0 1 8 {} {0.759156173773 0.752928534021 0.501979673438} O32 1.0 33 0.0 1 8 {} {0.240843826227 0.252928534021 0.498020326562} O33 1.0 34 0.0 1 8 {} {0.740843826227 0.252928534021 0.501979673438} O34 1.0 35 0.0 1 8 {} {0.259156173773 0.752928534021 0.498020326562} O35 1.0 36 0.0 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} {5.51616525167 5.5206586762 16.6890935049 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{5.51616525167 0 0} {0 5.5206586762 0} {0 0 16.6890935049}} {{0.181285359371 0 0} {0 0.181137805949 0} {0 0 0.0599193718764}} @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 -1 0} 0 7 32 5 {1 0 0} 0 8 4 34 {0 0 0} 0 9 1 0 {1 1 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 {0 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 -1 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 0 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 0 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 -1 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 0 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 0 0} 0 59 3 29 {0 0 0} 0 27 5 6 {0 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