# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Al Li3 N2'

loop_
_publ_author_name
 'R. Juza'
 'F. Hund'
_journal_name_full_name
;
 Zeitschrift fur Anorganische Chemie
;
_journal_volume 257
_journal_year 1948
_journal_page_first 13
_journal_page_last 25
_publ_Section_title
;
 Die tern\"{a}ren Nitride Li$_{3}$AlN$_{2}$ und Li$_{3}$GaN$_{2}$. 17. Mitteilung \"{u}ber Metallamide und Metallnitride
;

# Found in Exploration of the formation of XLi$_{3}$N$_{2}$ compounds (X=Sc-Zn) by means of density functional theory, 2012

_aflow_title 'AlLi$_{3}$N$_{2}$ ($E9_{d}$) Structure'
_aflow_proto 'AB3C2_cI96_206_c_e_ad'
_aflow_params 'a,x_{2},x_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '9.46,0.115,0.205,0.16,0.382,0.11'
_aflow_Strukturbericht '$E9_{d}$'
_aflow_Pearson 'cI96'

_symmetry_space_group_name_H-M "I 21/a -3"
_symmetry_Int_Tables_number 206
 
_cell_length_a    9.46000
_cell_length_b    9.46000
_cell_length_c    9.46000
_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+1/2
3 -x+1/2,y,-z
4 -x,-y+1/2,z
5 y,z,x
6 y,-z,-x+1/2
7 -y+1/2,z,-x
8 -y,-z+1/2,x
9 z,x,y
10 z,-x,-y+1/2
11 -z+1/2,x,-y
12 -z,-x+1/2,y
13 -x,-y,-z
14 -x,y,z+1/2
15 x+1/2,-y,z
16 x,y+1/2,-z
17 -y,-z,-x
18 -y,z,x+1/2
19 y+1/2,-z,x
20 y,z+1/2,-x
21 -z,-x,-y
22 -z,x,y+1/2
23 z+1/2,-x,y
24 z,x+1/2,-y
25 x+1/2,y+1/2,z+1/2
26 x+1/2,-y+1/2,-z
27 -x,y+1/2,-z+1/2
28 -x+1/2,-y,z+1/2
29 y+1/2,z+1/2,x+1/2
30 y+1/2,-z+1/2,-x
31 -y,z+1/2,-x+1/2
32 -y+1/2,-z,x+1/2
33 z+1/2,x+1/2,y+1/2
34 z+1/2,-x+1/2,-y
35 -z,x+1/2,-y+1/2
36 -z+1/2,-x,y+1/2
37 -x+1/2,-y+1/2,-z+1/2
38 -x+1/2,y+1/2,z
39 x,-y+1/2,z+1/2
40 x+1/2,y,-z+1/2
41 -y+1/2,-z+1/2,-x+1/2
42 -y+1/2,z+1/2,x
43 y,-z+1/2,x+1/2
44 y+1/2,z,-x+1/2
45 -z+1/2,-x+1/2,-y+1/2
46 -z+1/2,x+1/2,y
47 z,-x+1/2,y+1/2
48 z+1/2,x,-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
N1  N    8 a 0.00000 0.00000 0.00000 1.00000
Al1 Al  16 c 0.11500 0.11500 0.11500 1.00000
N2  N   24 d 0.20500 0.00000 0.25000 1.00000
Li1 Li  48 e 0.16000 0.38200 0.11000 1.00000
