# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Bergman Structure: Mg32(Al,Zn)49 Bergman'
_chemical_formula_sum 'Al Mg32 Zn48'
 
loop_
_publ_author_name
 'Gunnar Bergman'
 'John L. T. Waugh'
 'Linus Pauling'
_journal_name_full
;
Acta Crystallographica
;
_journal_volume 10
_journal_year 1957
_journal_page_first 254
_journal_page_last 259
_publ_Section_title
;
 The crystal structure of the metallic phase Mg$_{32}$(Al, Zn)$_{49}$
;

_aflow_proto 'AB32C48_cI162_204_a_2efg_2gh' 
_aflow_params 'a,x2,x3,x4,y5,z5,y6,z6,y7,z7,x8,y8,z8' 
_aflow_params_values '14.16,0.8203,0.5998,0.1836,0.2942,0.8806,0.0908,0.8499,0.1748,0.6993,0.686,0.0969,0.332' 
_aflow_Strukturbericht '$D8_{e}$' 
_aflow_Pearson 'cI162' 

_symmetry_space_group_name_Hall "-I 2 2 3"
_symmetry_space_group_name_H-M "I m -3"
_symmetry_Int_Tables_number 204

_cell_length_a    14.16000
_cell_length_b    14.16000
_cell_length_c    14.16000
_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 -x,-y,-z
14 -x,y,z
15 x,-y,z
16 x,y,-z
17 -y,-z,-x
18 -y,z,x
19 y,-z,x
20 y,z,-x
21 -z,-x,-y
22 -z,x,y
23 z,-x,y
24 z,x,-y
25 x+1/2,y+1/2,z+1/2
26 x+1/2,-y+1/2,-z+1/2
27 -x+1/2,y+1/2,-z+1/2
28 -x+1/2,-y+1/2,z+1/2
29 y+1/2,z+1/2,x+1/2
30 y+1/2,-z+1/2,-x+1/2
31 -y+1/2,z+1/2,-x+1/2
32 -y+1/2,-z+1/2,x+1/2
33 z+1/2,x+1/2,y+1/2
34 z+1/2,-x+1/2,-y+1/2
35 -z+1/2,x+1/2,-y+1/2
36 -z+1/2,-x+1/2,y+1/2
37 -x+1/2,-y+1/2,-z+1/2
38 -x+1/2,y+1/2,z+1/2
39 x+1/2,-y+1/2,z+1/2
40 x+1/2,y+1/2,-z+1/2
41 -y+1/2,-z+1/2,-x+1/2
42 -y+1/2,z+1/2,x+1/2
43 y+1/2,-z+1/2,x+1/2
44 y+1/2,z+1/2,-x+1/2
45 -z+1/2,-x+1/2,-y+1/2
46 -z+1/2,x+1/2,y+1/2
47 z+1/2,-x+1/2,y+1/2
48 z+1/2,x+1/2,-y+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
Al1 Al   2 a 0.00000 0.00000 0.00000 1.00000
Mg1 Mg  12 e 0.82030 0.00000 0.50000 1.00000
Mg2 Mg  12 e 0.59980 0.00000 0.50000 1.00000
Mg3 Mg  16 f 0.18360 0.18360 0.18360 1.00000
Mg4 Mg  24 g 0.00000 0.29420 0.88060 1.00000
Zn1 Zn  24 g 0.00000 0.09080 0.84990 1.00000
Zn2 Zn  24 g 0.00000 0.17480 0.69930 1.00000
Zn3 Zn  48 h 0.68600 0.09690 0.33200 1.00000
