#Exercise 2.2
141
6.6164 6.6164 6.0150 90 90 90
3
Zr 1 4a   0 0.75 0.125
Si 1 4b   0 0.75 0.625 
O  1 16h  0 0.067 0.198


#Exercise 10.1:
227
7.147 7.147 7.147 90 90 90
1
Si 1 8a 0.125 0.125 0.125

92
4.9586 4.9586 6.9074 90 90 90
1
Si 1 4a 0.3028 0.3028 0

#Exercise 10.2
# Space Group ITA number 
225
# Lattice parameters
5.0 5.0 5.0 90 90 90
# Number of independent atoms in the asymmetric unit
2
# [atom type] [number] [WP] [x] [y] [z]
Ca  1 4a 0.0 0.0 0
F  2 8c 0.25 0.25 0.25

#Exercise 10.3:
(i)KAsF6
148
7.3480 7.3480 7.2740 90.00 90.00 120.00
3
K     1   3b    0.33333 0.66666 0.16667                 
As    1   3a    0 0 0                                   
F     1   18f   0.1292 0.2165 0.1381  
(ii) CsSbF6
148
7.9040 7.9040 8.2610 90.00 90.00 120.00
3
K     1   3b    0 0 0.5                                 
As    1   3a    0 0 0                                   
F     1   18f   0.06562 0.2158 0.1337
(iii)BaSnF6
148
7.4279 7.4279 7.4180 90.00 90.00 120.00
3
Ba    1   3a    0 0 0                                   
Sn    1   3b    0 0 0.5                                 
F     1   18f   0.2586 0.8262 0.0047

#Exercise 10.4
#P(C_6C_5)_4[MoNCl_4
86
4.567 4.567 12.382 90 90 90
3
P   1   2b 0.25  0.75  0
Mo  1  2c 0.25  0.25  0.121 
N   1  2c 0.25  0.25 -0.093