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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