/usr/share/xcrysden/examples/WIEN_struct_files/ybco7.struct is in xcrysden-data 1.5.60-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 | YBA2CU3O7
P LATTICE,NONEQUIV. ATOMS 8
MODE OF CALC=RELA
7.224600 7.344200 22.073300 90.000000 90.000000 90.000000
Atom -1: X=0.50000000 Y=0.50000000 Z=0.50000000
MULT= 1 ISPLIT= 8
Y TTRIUM NPT= 771 R0=0.00050000 RMT= 2.2000 Z: 39.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
Atom -2: X=0.50000000 Y=0.50000000 Z=0.18430000
MULT= 2 ISPLIT= 8
Atom -2: X=0.50000000 Y=0.50000000 Z=0.81570000
BaRIUM NPT= 771 R0=0.00050000 RMT= 2.2000 Z: 56.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
Atom -3: X=0.00000000 Y=0.00000000 Z=0.00000000
MULT= 1 ISPLIT= 8
Cu1 NPT= 771 R0=0.00050000 RMT= 1.9000 Z: 29.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
Atom -4: X=0.00000000 Y=0.00000000 Z=0.35560000
MULT= 2 ISPLIT= 8
Atom -4: X=0.00000000 Y=0.00000000 Z=0.64440000
Cu2 NPT= 771 R0=0.00050000 RMT= 1.9000 Z: 29.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
Atom -5: X=0.00000000 Y=0.50000000 Z=0.00000000
MULT= 1 ISPLIT= 8
O 1 NPT= 771 R0=0.00050000 RMT= 1.5500 Z: 8.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
Atom -6: X=0.50000000 Y=0.00000000 Z=0.37730000
MULT= 2 ISPLIT= 8
Atom -6: X=0.50000000 Y=0.00000000 Z=0.62270000
O 2 NPT= 771 R0=0.00050000 RMT= 1.5500 Z: 8.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
Atom -7: X=0.00000000 Y=0.50000000 Z=0.37890000
MULT= 2 ISPLIT= 8
Atom -7: X=0.00000000 Y=0.50000000 Z=0.62110000
O 3 NPT= 771 R0=0.00050000 RMT= 1.5500 Z: 8.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
Atom -8: X=0.00000000 Y=0.00000000 Z=0.15840000
MULT= 2 ISPLIT= 8
Atom -8: X=0.00000000 Y=0.00000000 Z=0.84160000
O 4 NPT= 771 R0=0.00050000 RMT= 1.5500 Z: 8.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
8 SYMMETRY OPERATIONS:
1 0 0 0.0000000
0 1 0 0.0000000
0 0 1 0.0000000
1
-1 0 0 0.0000000
0-1 0 0.0000000
0 0 1 0.0000000
2
1 0 0 0.0000000
0-1 0 0.0000000
0 0-1 0.0000000
3
-1 0 0 0.0000000
0 1 0 0.0000000
0 0-1 0.0000000
4
-1 0 0 0.0000000
0-1 0 0.0000000
0 0-1 0.0000000
5
1 0 0 0.0000000
0 1 0 0.0000000
0 0-1 0.0000000
6
-1 0 0 0.0000000
0 1 0 0.0000000
0 0 1 0.0000000
7
1 0 0 0.0000000
0-1 0 0.0000000
0 0 1 0.0000000
8
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