# =========================================
#              Exercise 1
# =========================================

# (a) Origin choice 1
# ICSD: 15869
88
5.243  5.243  11.376  90  90  90
3
Ca 1   4b     0.0000  0.0000  0.5000
W  1   4a     0.0000  0.0000  0.0000
O  1   16f    0.2413  0.1511  0.0861


# (b) Origin choice 2
# ICSD: 15586
88
5.243  5.243  11.376  90  90  90
3
Ca 1   4b     0.0000  0.2500   0.6250
W  1   4a     0.0000  0.2500  0.1250
O  1   16f    0.1504  0.0085  0.2111



# =========================================
#              Exercise 2
# =========================================

227
6.370  6.370  6.370  90.0  90.0 90.0
2
Li    1   8a   0.375   0.375   0.375
Al    2   8b   0.125   0.125   0.125



# =========================================
#            Exercise 3 and 5
# =========================================

#ICSD: 59413
148
7.348 7.348 7.274 90. 90. 120.
3
K   1   3b    0.333333   0.666670   0.166670
As  1   3a    0.000000   0.000000   0.000000
F   1  18f    0.129200   0.216500   0.138100

#ICSD: 240981
148
7.3965 7.3965 7.2826 90. 90. 120.
3
Ir   1  3a     0.000000   0.000000   0.000000
F    1  18f    0.072900   0.232500   0.164000
Ba   1  3b     0.333333   0.666667   0.166700

#ICSD: 33788
148
7.4279 7.4279 7.418 90. 90. 120.
3
Ba  1    3a    0.000000   0.000000   0.000000
Sn  1    3b    0.000000   0.000000   0.500000
F   1   18f    0.258600   0.826200   0.004700




# =========================================
#              Exercise 4
# =========================================

#ICSD:173024
33
5.0885 8.7802 9.4709 90 90 90
10
O    1    4a     0.978000   0.328200   0.431400
O    2    4a     0.515000   0.490700   0.418700
O    3    4a     0.650000   0.997900   0.188300
O    4    4a     0.160000   0.163700   0.195600
O    5    4a     0.841000   0.168000   0.666900
O    6    4a     0.527000   0.163700   0.936200
Fe   7    4a     0.192800   0.150600   0.580700
Fe   8    4a     0.682600   0.029100   0.789700
Fe   9    4a     0.185800   0.151900   0.000000
Fe  10    4a     0.810400   0.158000   0.307100

#ICSD:415250
33
5.0715 8.7359 9.4178 90 90 90
10
O   1    4a     0.337000   0.853000   0.887000
O   2    4a     0.019000   0.474000   0.610000
O   3    4a     0.453000   0.677000   0.651000
O   4    4a     0.527000   0.669000   0.100000
O   5    4a     0.868000   0.334000   0.863000
O   6    4a     0.336000   0.513000   0.891000
Fe  7    4a     0.204000   0.350900   0.772600
Fe  8    4a     0.807000   0.660500   0.693000
Fe  9    4a     0.676800   0.842700   0.000000
Fe 10    4a     0.685200   0.463400   0.983000