# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'half-Heusler'
_chemical_formula_sum 'Ag As Mg'
 
loop_
_publ_author_name
 'H. Nowotny'
 'W. Sibert'
_journal_name_full
;
Zeitschrift f\"{u}r Metallkunde
;
_journal_volume 33
_journal_year 1941
_journal_page_first 391
_journal_page_last 394
_publ_Section_title
;
 Tern\"{a}re Valenzverbindungen in den Systemen Kupfer(Silber)-Arsen(Antimon,Wismut)-Magnesium
;

# Found in  Pearson, Alloys, pp. 386

_aflow_proto 'ABC_cF12_216_b_c_a' 
_aflow_params 'a' 
_aflow_params_values '6.24' 
_aflow_Strukturbericht 'C1_b' 
_aflow_Pearson 'cF12' 

_symmetry_space_group_name_Hall "F -4 2 3"
_symmetry_space_group_name_H-M "F -4 3 m"
_symmetry_Int_Tables_number 216

_cell_length_a    6.24000
_cell_length_b    6.24000
_cell_length_c    6.24000
_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,x,z
14 y,-x,-z
15 -y,x,-z
16 -y,-x,z
17 x,z,y
18 x,-z,-y
19 -x,z,-y
20 -x,-z,y
21 z,y,x
22 z,-y,-x
23 -z,y,-x
24 -z,-y,x
25 x,y+1/2,z+1/2
26 x,-y+1/2,-z+1/2
27 -x,y+1/2,-z+1/2
28 -x,-y+1/2,z+1/2
29 y,z+1/2,x+1/2
30 y,-z+1/2,-x+1/2
31 -y,z+1/2,-x+1/2
32 -y,-z+1/2,x+1/2
33 z,x+1/2,y+1/2
34 z,-x+1/2,-y+1/2
35 -z,x+1/2,-y+1/2
36 -z,-x+1/2,y+1/2
37 y,x+1/2,z+1/2
38 y,-x+1/2,-z+1/2
39 -y,x+1/2,-z+1/2
40 -y,-x+1/2,z+1/2
41 x,z+1/2,y+1/2
42 x,-z+1/2,-y+1/2
43 -x,z+1/2,-y+1/2
44 -x,-z+1/2,y+1/2
45 z,y+1/2,x+1/2
46 z,-y+1/2,-x+1/2
47 -z,y+1/2,-x+1/2
48 -z,-y+1/2,x+1/2
49 x+1/2,y,z+1/2
50 x+1/2,-y,-z+1/2
51 -x+1/2,y,-z+1/2
52 -x+1/2,-y,z+1/2
53 y+1/2,z,x+1/2
54 y+1/2,-z,-x+1/2
55 -y+1/2,z,-x+1/2
56 -y+1/2,-z,x+1/2
57 z+1/2,x,y+1/2
58 z+1/2,-x,-y+1/2
59 -z+1/2,x,-y+1/2
60 -z+1/2,-x,y+1/2
61 y+1/2,x,z+1/2
62 y+1/2,-x,-z+1/2
63 -y+1/2,x,-z+1/2
64 -y+1/2,-x,z+1/2
65 x+1/2,z,y+1/2
66 x+1/2,-z,-y+1/2
67 -x+1/2,z,-y+1/2
68 -x+1/2,-z,y+1/2
69 z+1/2,y,x+1/2
70 z+1/2,-y,-x+1/2
71 -z+1/2,y,-x+1/2
72 -z+1/2,-y,x+1/2
73 x+1/2,y+1/2,z
74 x+1/2,-y+1/2,-z
75 -x+1/2,y+1/2,-z
76 -x+1/2,-y+1/2,z
77 y+1/2,z+1/2,x
78 y+1/2,-z+1/2,-x
79 -y+1/2,z+1/2,-x
80 -y+1/2,-z+1/2,x
81 z+1/2,x+1/2,y
82 z+1/2,-x+1/2,-y
83 -z+1/2,x+1/2,-y
84 -z+1/2,-x+1/2,y
85 y+1/2,x+1/2,z
86 y+1/2,-x+1/2,-z
87 -y+1/2,x+1/2,-z
88 -y+1/2,-x+1/2,z
89 x+1/2,z+1/2,y
90 x+1/2,-z+1/2,-y
91 -x+1/2,z+1/2,-y
92 -x+1/2,-z+1/2,y
93 z+1/2,y+1/2,x
94 z+1/2,-y+1/2,-x
95 -z+1/2,y+1/2,-x
96 -z+1/2,-y+1/2,x
 
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
Mg1 Mg   4 a 0.00000 0.00000 0.00000 1.00000
Ag1 Ag   4 b 0.50000 0.50000 0.50000 1.00000
As1 As   4 c 0.25000 0.25000 0.25000 1.00000
