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lines changed Original file line number Diff line number Diff line change @@ -903,11 +903,11 @@ O atoms.
903903 Al @ [ 0.0000 0.0000 0.2418 ], WP [4e ] Site [..2 ]
904904 Al @ [ 0.1294 0.6392 0.0000 ], WP [4g ] Site [..m]
905905 Si @ [ 0.2458 0.2522 0.0000 ], WP [4g ] Site [..m]
906- O @ [ 0.4241 0.3636 0.0000 ], WP [4g ] Site [..m]
907- O @ [ 0.5538 0.2648 0.0000 ], WP [4g ] Site [..m]
908- O @ [ 0.0000 0.0000 0.5000 ], WP [2b ] Site [..2 / m]
909- O @ [ 0.0000 0.5000 0.0000 ], WP [2c ] Site [..2 / m]
910- O @ [ 0.4348 0.6979 0.2566 ], WP [8h ] Site [1 ]
906+ O @ [ 0.4241 0.3636 0.0000 ], WP [4g ] Site [..m]
907+ O @ [ 0.5538 0.2648 0.0000 ], WP [4g ] Site [..m]
908+ O @ [ 0.0000 0.0000 0.5000 ], WP [2b ] Site [..2 / m]
909+ O @ [ 0.0000 0.5000 0.0000 ], WP [2c ] Site [..2 / m]
910+ O @ [ 0.4348 0.6979 0.2566 ], WP [8h ] Site [1 ]
911911
912912
913913Similarly, PyXtal allows the user to pre- assign the partial information (e.g.,
You can’t perform that action at this time.
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