/usr/share/gdis/models/burkeite_p1.xtl is in gdis-data 0.90-4.
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 | TITLE burkeite from gdis (hand edited)
DIMENSION 3
CELL
5.19800 9.25500 7.08500 90.00000 90.00000 90.00000
SYMMETRY NUMBER 1 LABEL P1
ATOMS
NAME X Y Z CHARGE TEMP OCCUP SCAT
Na 0.25000 0.75120 0.00470 0.0 0.0 1.0 NA 0+
Na 0.25000 0.42500 0.25000 0.0 0.0 1.0 NA 0+
Na 0.75000 0.88050 0.25000 0.0 0.0 1.0 NA 0+
C 0.75000 0.56060 0.25000 0.0 0.0 0.49 C 0+
S 0.75000 0.56060 0.25000 0.0 0.0 0.51 S 0+
S 0.29420 0.08960 0.25000 0.0 0.0 0.5 S 0+
O 0.75000 0.42160 0.25000 0.0 0.0 0.83 O 0+
O 0.53580 0.64290 0.25000 0.0 0.0 0.83 O 0+
O 0.75000 0.47010 0.08540 0.0 0.0 0.17 O 0+
O 0.93100 0.58340 0.08880 0.0 0.0 0.17 O 0+
O 0.18920 0.16060 0.08160 0.0 0.0 0.5 O 0+
O 0.57550 0.10710 0.25000 0.0 0.0 0.5 O 0+
Na 0.75000 0.24880 0.50470 0.0 0.0 1.0 NA 0+
Na 0.75000 0.24880 0.99530 0.0 0.0 1.0 NA 0+
Na 0.25000 0.75120 0.49530 0.0 0.0 1.0 NA 0+
Na 0.75000 0.57500 0.75000 0.0 0.0 1.0 NA 0+
Na 0.25000 0.11950 0.75000 0.0 0.0 1.0 NA 0+
C 0.25000 0.43940 0.75000 0.0 0.0 0.49 C 0+
S 0.25000 0.43940 0.75000 0.0 0.0 0.51 S 0+
S 0.70580 0.91040 0.75000 0.0 0.0 0.5 S 0+
S 0.79420 0.91040 0.75000 0.0 0.0 0.5 S 0+
S 0.20580 0.08960 0.25000 0.0 0.0 0.5 S 0+
O 0.25000 0.57840 0.75000 0.0 0.0 0.83 O 0+
O 0.46420 0.35710 0.75000 0.0 0.0 0.83 O 0+
O 0.03580 0.35710 0.75000 0.0 0.0 0.83 O 0+
O 0.96420 0.64290 0.25000 0.0 0.0 0.83 O 0+
O 0.25000 0.52990 0.58540 0.0 0.0 0.17 O 0+
O 0.25000 0.52990 0.91460 0.0 0.0 0.17 O 0+
O 0.75000 0.47010 0.41460 0.0 0.0 0.17 O 0+
O 0.06900 0.41660 0.58880 0.0 0.0 0.17 O 0+
O 0.43100 0.41660 0.91120 0.0 0.0 0.17 O 0+
O 0.56900 0.58340 0.41120 0.0 0.0 0.17 O 0+
O 0.06900 0.41660 0.91120 0.0 0.0 0.17 O 0+
O 0.93100 0.58340 0.41120 0.0 0.0 0.17 O 0+
O 0.56900 0.58340 0.08880 0.0 0.0 0.17 O 0+
O 0.43100 0.41660 0.58880 0.0 0.0 0.17 O 0+
O 0.81080 0.83940 0.58160 0.0 0.0 0.5 O 0+
O 0.68920 0.83940 0.91840 0.0 0.0 0.5 O 0+
O 0.31080 0.16060 0.41840 0.0 0.0 0.5 O 0+
O 0.81080 0.83940 0.91840 0.0 0.0 0.5 O 0+
O 0.18920 0.16060 0.41840 0.0 0.0 0.5 O 0+
O 0.31080 0.16060 0.08160 0.0 0.0 0.5 O 0+
O 0.68920 0.83940 0.58160 0.0 0.0 0.5 O 0+
O 0.42450 0.89290 0.75000 0.0 0.0 0.5 O 0+
O 0.21770 -0.06510 0.25000 0.0 0.0 0.5 O 0+
O 0.28230 -0.06510 0.25000 0.0 0.0 0.5 O 0+
O -0.07550 0.10710 0.25000 0.0 0.0 0.5 O 0+
O 1.07550 0.89290 0.75000 0.0 0.0 0.5 O 0+
O 0.78230 1.06510 0.75000 0.0 0.0 0.5 O 0+
O 0.71770 1.06510 0.75000 0.0 0.0 0.5 O 0+
EOF
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