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I realize this isn't exactly what you wanted (e.g., the new cell vectors aren't actually orthogonal), but I am leaving it here because of the comments requesting for me to undelete the answer.

I realize this isn't exactly what you wanted, but I am leaving it here because of the comments requesting for me to undelete the answer.

I realize this isn't exactly what you wanted (e.g., the new cell vectors aren't actually orthogonal), but I am leaving it here because of the comments requesting for me to undelete the answer.

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Nike Dattani - No Free Time
Nike Dattani - No Free Time
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Update: Sorry, I realize now this isn't exactly what you wanted. But I'll leave it here anyway based on feedback in the comments.

I used the structure manipulation scripts provided by AIRSS to generate the conventional cell associated with your primitive cell. I think AIRSS uses Spglib under the hood for this task, so you could probably use Spglib directly if you wanted.

I realize this isn't exactly what you wanted, but I am leaving it here because of the comments requesting for me to undelete the answer.

Update: Sorry, I realize now this isn't exactly what you wanted. But I'll leave it here anyway based on feedback in the comments.

I used the structure manipulation scripts provided by AIRSS to generate the conventional cell associated with your primitive cell. I think AIRSS uses Spglib under the hood for this task, so you could probably use Spglib directly if you wanted.

I used the structure manipulation scripts provided by AIRSS to generate the conventional cell associated with your primitive cell. I think AIRSS uses Spglib under the hood for this task, so you could probably use Spglib directly if you wanted.

I realize this isn't exactly what you wanted, but I am leaving it here because of the comments requesting for me to undelete the answer.

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wcw
wcw
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POSCAR
1.0000000000000000     
10.0886200000   0.0000000000   0.0000000000
0.0000000000   7.1337300000   0.0000000000
-2.5221540330   0.0000000000  10.0886187273
A         B         
      16          48
Direct
0.0000000000   0.0000000000   0.0000000000
0.4375000000   0.5000000000   0.7500000000
0.0937500000   0.2500000000   0.8750000000
0.0312500000   0.2500000000   0.6250000000
0.6875000000   0.5000000000   0.7500000000
0.0937500000   0.7500000000   0.8750000000
0.0312500000   0.7500000000   0.6250000000
0.5625000000   0.5000000000   0.2500000000
0.5000000000   0.5000000000   0.0000000000
0.9375000000   0.0000000000   0.7500000000
0.5937500000   0.7500000000   0.8750000000
0.5312500000   0.7500000000   0.6250000000
0.1875000000   0.0000000000   0.7500000000
0.5937500000   0.2500000000   0.8750000000
0.5312500000   0.2500000000   0.6250000000
0.0625000000   0.0000000000   0.2500000000
0.3750000000   0.5000000000   0.5000000000
0.2187500000   0.2500000000   0.3750000000
0.3125000000   0.5000000000   0.2500000000
0.1562500000   0.2500000000   0.1250000000
0.2500000000   0.5000000000   0.0000000000
0.1875000000   0.5000000000   0.7500000000
0.1250000000   0.5000000000   0.5000000000
0.2187500000   0.7500000000   0.3750000000
0.9687500000   0.2500000000   0.3750000000
0.0625000000   0.5000000000   0.2500000000
0.1562500000   0.7500000000   0.1250000000
0.9062500000   0.2500000000   0.1250000000
0.8437500000   0.2500000000   0.8750000000
0.9375000000   0.5000000000   0.7500000000
0.7812500000   0.2500000000   0.6250000000
0.8750000000   0.5000000000   0.5000000000
0.9687500000   0.7500000000   0.3750000000
0.8125000000   0.5000000000   0.2500000000
0.9062500000   0.7500000000   0.1250000000
0.7500000000   0.5000000000   0.0000000000
0.8437500000   0.7500000000   0.8750000000
-0.0000000000   0.5000000000   0.0000000000
0.7812500000   0.7500000000   0.6250000000
0.6250000000   0.5000000000   0.5000000000
0.8750000000   0.0000000000   0.5000000000
0.7187500000   0.7500000000   0.3750000000
0.8125000000   0.0000000000   0.2500000000
0.6562500000   0.7500000000   0.1250000000
0.7500000000   0.0000000000   0.0000000000
0.6875000000   0.0000000000   0.7500000000
0.6250000000   0.0000000000   0.5000000000
0.7187500000   0.2500000000   0.3750000000
0.4687500000   0.7500000000   0.3750000000
0.5625000000   0.0000000000   0.2500000000
0.6562500000   0.2500000000   0.1250000000
0.4062500000   0.7500000000   0.1250000000
0.3437500000   0.7500000000   0.8750000000
0.4375000000   0.0000000000   0.7500000000
0.2812500000   0.7500000000   0.6250000000
0.3750000000   0.0000000000   0.5000000000
0.4687500000   0.2500000000   0.3750000000
0.3125000000   0.0000000000   0.2500000000
0.4062500000   0.2500000000   0.1250000000
0.2500000000   0.0000000000   0.0000000000
0.3437500000   0.2500000000   0.8750000000
0.5000000000   0.0000000000   0.0000000000
0.2812500000   0.2500000000   0.6250000000
0.1250000000   0.0000000000   0.5000000000

1.0000000000000000     
10.0886200000   0.0000000000   0.0000000000
0.0000000000   7.1337300000   0.0000000000
-2.5221540330   0.0000000000  10.0886187273
A         B         
      16          48
Direct
0.0000000000   0.0000000000   0.0000000000
0.4375000000   0.5000000000   0.7500000000
0.0937500000   0.2500000000   0.8750000000
0.0312500000   0.2500000000   0.6250000000
0.6875000000   0.5000000000   0.7500000000
0.0937500000   0.7500000000   0.8750000000
0.0312500000   0.7500000000   0.6250000000
0.5625000000   0.5000000000   0.2500000000
0.5000000000   0.5000000000   0.0000000000
0.9375000000   0.0000000000   0.7500000000
0.5937500000   0.7500000000   0.8750000000
0.5312500000   0.7500000000   0.6250000000
0.1875000000   0.0000000000   0.7500000000
0.5937500000   0.2500000000   0.8750000000
0.5312500000   0.2500000000   0.6250000000
0.0625000000   0.0000000000   0.2500000000
0.3750000000   0.5000000000   0.5000000000
0.2187500000   0.2500000000   0.3750000000
0.3125000000   0.5000000000   0.2500000000
0.1562500000   0.2500000000   0.1250000000
0.2500000000   0.5000000000   0.0000000000
0.1875000000   0.5000000000   0.7500000000
0.1250000000   0.5000000000   0.5000000000
0.2187500000   0.7500000000   0.3750000000
0.9687500000   0.2500000000   0.3750000000
0.0625000000   0.5000000000   0.2500000000
0.1562500000   0.7500000000   0.1250000000
0.9062500000   0.2500000000   0.1250000000
0.8437500000   0.2500000000   0.8750000000
0.9375000000   0.5000000000   0.7500000000
0.7812500000   0.2500000000   0.6250000000
0.8750000000   0.5000000000   0.5000000000
0.9687500000   0.7500000000   0.3750000000
0.8125000000   0.5000000000   0.2500000000
0.9062500000   0.7500000000   0.1250000000
0.7500000000   0.5000000000   0.0000000000
0.8437500000   0.7500000000   0.8750000000
-0.0000000000   0.5000000000   0.0000000000
0.7812500000   0.7500000000   0.6250000000
0.6250000000   0.5000000000   0.5000000000
0.8750000000   0.0000000000   0.5000000000
0.7187500000   0.7500000000   0.3750000000
0.8125000000   0.0000000000   0.2500000000
0.6562500000   0.7500000000   0.1250000000
0.7500000000   0.0000000000   0.0000000000
0.6875000000   0.0000000000   0.7500000000
0.6250000000   0.0000000000   0.5000000000
0.7187500000   0.2500000000   0.3750000000
0.4687500000   0.7500000000   0.3750000000
0.5625000000   0.0000000000   0.2500000000
0.6562500000   0.2500000000   0.1250000000
0.4062500000   0.7500000000   0.1250000000
0.3437500000   0.7500000000   0.8750000000
0.4375000000   0.0000000000   0.7500000000
0.2812500000   0.7500000000   0.6250000000
0.3750000000   0.0000000000   0.5000000000
0.4687500000   0.2500000000   0.3750000000
0.3125000000   0.0000000000   0.2500000000
0.4062500000   0.2500000000   0.1250000000
0.2500000000   0.0000000000   0.0000000000
0.3437500000   0.2500000000   0.8750000000
0.5000000000   0.0000000000   0.0000000000
0.2812500000   0.2500000000   0.6250000000
0.1250000000   0.0000000000   0.5000000000

POSCAR
1.0000000000000000     
10.0886200000   0.0000000000   0.0000000000
0.0000000000   7.1337300000   0.0000000000
-2.5221540330   0.0000000000  10.0886187273
A         B         
16        48
Direct
0.0000000000   0.0000000000   0.0000000000
0.4375000000   0.5000000000   0.7500000000
0.0937500000   0.2500000000   0.8750000000
0.0312500000   0.2500000000   0.6250000000
0.6875000000   0.5000000000   0.7500000000
0.0937500000   0.7500000000   0.8750000000
0.0312500000   0.7500000000   0.6250000000
0.5625000000   0.5000000000   0.2500000000
0.5000000000   0.5000000000   0.0000000000
0.9375000000   0.0000000000   0.7500000000
0.5937500000   0.7500000000   0.8750000000
0.5312500000   0.7500000000   0.6250000000
0.1875000000   0.0000000000   0.7500000000
0.5937500000   0.2500000000   0.8750000000
0.5312500000   0.2500000000   0.6250000000
0.0625000000   0.0000000000   0.2500000000
0.3750000000   0.5000000000   0.5000000000
0.2187500000   0.2500000000   0.3750000000
0.3125000000   0.5000000000   0.2500000000
0.1562500000   0.2500000000   0.1250000000
0.2500000000   0.5000000000   0.0000000000
0.1875000000   0.5000000000   0.7500000000
0.1250000000   0.5000000000   0.5000000000
0.2187500000   0.7500000000   0.3750000000
0.9687500000   0.2500000000   0.3750000000
0.0625000000   0.5000000000   0.2500000000
0.1562500000   0.7500000000   0.1250000000
0.9062500000   0.2500000000   0.1250000000
0.8437500000   0.2500000000   0.8750000000
0.9375000000   0.5000000000   0.7500000000
0.7812500000   0.2500000000   0.6250000000
0.8750000000   0.5000000000   0.5000000000
0.9687500000   0.7500000000   0.3750000000
0.8125000000   0.5000000000   0.2500000000
0.9062500000   0.7500000000   0.1250000000
0.7500000000   0.5000000000   0.0000000000
0.8437500000   0.7500000000   0.8750000000
-0.0000000000   0.5000000000   0.0000000000
0.7812500000   0.7500000000   0.6250000000
0.6250000000   0.5000000000   0.5000000000
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0.7187500000   0.2500000000   0.3750000000
0.4687500000   0.7500000000   0.3750000000
0.5625000000   0.0000000000   0.2500000000
0.6562500000   0.2500000000   0.1250000000
0.4062500000   0.7500000000   0.1250000000
0.3437500000   0.7500000000   0.8750000000
0.4375000000   0.0000000000   0.7500000000
0.2812500000   0.7500000000   0.6250000000
0.3750000000   0.0000000000   0.5000000000
0.4687500000   0.2500000000   0.3750000000
0.3125000000   0.0000000000   0.2500000000
0.4062500000   0.2500000000   0.1250000000
0.2500000000   0.0000000000   0.0000000000
0.3437500000   0.2500000000   0.8750000000
0.5000000000   0.0000000000   0.0000000000
0.2812500000   0.2500000000   0.6250000000
0.1250000000   0.0000000000   0.5000000000
added 93 characters in body
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wcw
wcw
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Post Undeleted by wcw
Post Deleted by wcw
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wcw
wcw
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