# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Na Zn13'

loop_
_publ_author_name
 'D. P. Shoemaker'
 'R. E. Marsh'
 'F. J. Ewing'
 'L. Pauling'
_journal_name_full_name
;
 Acta Cristallographica
;
_journal_volume 5
_journal_year 1952
_journal_page_first 637
_journal_page_last 644
_publ_Section_title
;
 Interatomic distances and atomic valences in NaZn$_{13}$
;

_aflow_title 'NaZn$_{13}$ ($D2_{3}$) Structure'
_aflow_proto 'AB13_cF112_226_a_bi'
_aflow_params 'a,y_{3},z_{3}'
_aflow_params_values '12.2836,0.1806,0.1192'
_aflow_Strukturbericht '$D2_{3}$'
_aflow_Pearson 'cF112'

_symmetry_space_group_name_H-M "F 4/m -3 2/c"
_symmetry_Int_Tables_number 226
 
_cell_length_a    12.28360
_cell_length_b    12.28360
_cell_length_c    12.28360
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y+1/2,-x+1/2,-z+1/2
14 -y+1/2,x+1/2,z+1/2
15 y+1/2,-x+1/2,z+1/2
16 y+1/2,x+1/2,-z+1/2
17 -x+1/2,-z+1/2,-y+1/2
18 -x+1/2,z+1/2,y+1/2
19 x+1/2,-z+1/2,y+1/2
20 x+1/2,z+1/2,-y+1/2
21 -z+1/2,-y+1/2,-x+1/2
22 -z+1/2,y+1/2,x+1/2
23 z+1/2,-y+1/2,x+1/2
24 z+1/2,y+1/2,-x+1/2
25 -x,-y,-z
26 -x,y,z
27 x,-y,z
28 x,y,-z
29 -y,-z,-x
30 -y,z,x
31 y,-z,x
32 y,z,-x
33 -z,-x,-y
34 -z,x,y
35 z,-x,y
36 z,x,-y
37 y+1/2,x+1/2,z+1/2
38 y+1/2,-x+1/2,-z+1/2
39 -y+1/2,x+1/2,-z+1/2
40 -y+1/2,-x+1/2,z+1/2
41 x+1/2,z+1/2,y+1/2
42 x+1/2,-z+1/2,-y+1/2
43 -x+1/2,z+1/2,-y+1/2
44 -x+1/2,-z+1/2,y+1/2
45 z+1/2,y+1/2,x+1/2
46 z+1/2,-y+1/2,-x+1/2
47 -z+1/2,y+1/2,-x+1/2
48 -z+1/2,-y+1/2,x+1/2
49 x,y+1/2,z+1/2
50 x,-y+1/2,-z+1/2
51 -x,y+1/2,-z+1/2
52 -x,-y+1/2,z+1/2
53 y,z+1/2,x+1/2
54 y,-z+1/2,-x+1/2
55 -y,z+1/2,-x+1/2
56 -y,-z+1/2,x+1/2
57 z,x+1/2,y+1/2
58 z,-x+1/2,-y+1/2
59 -z,x+1/2,-y+1/2
60 -z,-x+1/2,y+1/2
61 -y+1/2,-x,-z
62 -y+1/2,x,z
63 y+1/2,-x,z
64 y+1/2,x,-z
65 -x+1/2,-z,-y
66 -x+1/2,z,y
67 x+1/2,-z,y
68 x+1/2,z,-y
69 -z+1/2,-y,-x
70 -z+1/2,y,x
71 z+1/2,-y,x
72 z+1/2,y,-x
73 -x,-y+1/2,-z+1/2
74 -x,y+1/2,z+1/2
75 x,-y+1/2,z+1/2
76 x,y+1/2,-z+1/2
77 -y,-z+1/2,-x+1/2
78 -y,z+1/2,x+1/2
79 y,-z+1/2,x+1/2
80 y,z+1/2,-x+1/2
81 -z,-x+1/2,-y+1/2
82 -z,x+1/2,y+1/2
83 z,-x+1/2,y+1/2
84 z,x+1/2,-y+1/2
85 y+1/2,x,z
86 y+1/2,-x,-z
87 -y+1/2,x,-z
88 -y+1/2,-x,z
89 x+1/2,z,y
90 x+1/2,-z,-y
91 -x+1/2,z,-y
92 -x+1/2,-z,y
93 z+1/2,y,x
94 z+1/2,-y,-x
95 -z+1/2,y,-x
96 -z+1/2,-y,x
97 x+1/2,y,z+1/2
98 x+1/2,-y,-z+1/2
99 -x+1/2,y,-z+1/2
100 -x+1/2,-y,z+1/2
101 y+1/2,z,x+1/2
102 y+1/2,-z,-x+1/2
103 -y+1/2,z,-x+1/2
104 -y+1/2,-z,x+1/2
105 z+1/2,x,y+1/2
106 z+1/2,-x,-y+1/2
107 -z+1/2,x,-y+1/2
108 -z+1/2,-x,y+1/2
109 -y,-x+1/2,-z
110 -y,x+1/2,z
111 y,-x+1/2,z
112 y,x+1/2,-z
113 -x,-z+1/2,-y
114 -x,z+1/2,y
115 x,-z+1/2,y
116 x,z+1/2,-y
117 -z,-y+1/2,-x
118 -z,y+1/2,x
119 z,-y+1/2,x
120 z,y+1/2,-x
121 -x+1/2,-y,-z+1/2
122 -x+1/2,y,z+1/2
123 x+1/2,-y,z+1/2
124 x+1/2,y,-z+1/2
125 -y+1/2,-z,-x+1/2
126 -y+1/2,z,x+1/2
127 y+1/2,-z,x+1/2
128 y+1/2,z,-x+1/2
129 -z+1/2,-x,-y+1/2
130 -z+1/2,x,y+1/2
131 z+1/2,-x,y+1/2
132 z+1/2,x,-y+1/2
133 y,x+1/2,z
134 y,-x+1/2,-z
135 -y,x+1/2,-z
136 -y,-x+1/2,z
137 x,z+1/2,y
138 x,-z+1/2,-y
139 -x,z+1/2,-y
140 -x,-z+1/2,y
141 z,y+1/2,x
142 z,-y+1/2,-x
143 -z,y+1/2,-x
144 -z,-y+1/2,x
145 x+1/2,y+1/2,z
146 x+1/2,-y+1/2,-z
147 -x+1/2,y+1/2,-z
148 -x+1/2,-y+1/2,z
149 y+1/2,z+1/2,x
150 y+1/2,-z+1/2,-x
151 -y+1/2,z+1/2,-x
152 -y+1/2,-z+1/2,x
153 z+1/2,x+1/2,y
154 z+1/2,-x+1/2,-y
155 -z+1/2,x+1/2,-y
156 -z+1/2,-x+1/2,y
157 -y,-x,-z+1/2
158 -y,x,z+1/2
159 y,-x,z+1/2
160 y,x,-z+1/2
161 -x,-z,-y+1/2
162 -x,z,y+1/2
163 x,-z,y+1/2
164 x,z,-y+1/2
165 -z,-y,-x+1/2
166 -z,y,x+1/2
167 z,-y,x+1/2
168 z,y,-x+1/2
169 -x+1/2,-y+1/2,-z
170 -x+1/2,y+1/2,z
171 x+1/2,-y+1/2,z
172 x+1/2,y+1/2,-z
173 -y+1/2,-z+1/2,-x
174 -y+1/2,z+1/2,x
175 y+1/2,-z+1/2,x
176 y+1/2,z+1/2,-x
177 -z+1/2,-x+1/2,-y
178 -z+1/2,x+1/2,y
179 z+1/2,-x+1/2,y
180 z+1/2,x+1/2,-y
181 y,x,z+1/2
182 y,-x,-z+1/2
183 -y,x,-z+1/2
184 -y,-x,z+1/2
185 x,z,y+1/2
186 x,-z,-y+1/2
187 -x,z,-y+1/2
188 -x,-z,y+1/2
189 z,y,x+1/2
190 z,-y,-x+1/2
191 -z,y,-x+1/2
192 -z,-y,x+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 Na   8 a 0.25000 0.25000 0.25000 1.00000
Zn1 Zn   8 b 0.00000 0.00000 0.00000 1.00000
Zn2 Zn  96 i 0.00000 0.18060 0.11920 1.00000
