# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Ga4 Ni3'
 
loop_
_publ_author_name
 'M. Ellner'
 'K. J. Best'
 'H. Jacobi'
 'K. Schubert'
_journal_name_full
;
Journal of the Less-Common Metals
;
_journal_volume 19
_journal_year 1969
_journal_page_first 294
_journal_page_last 296
_publ_Section_title
;
 Struktur von Ni$_3$Ga$_4$
;

# Found in  http://materials.springer.com/lb/docs/sm_lbs_978-3-540-45199-0_4

_aflow_proto 'A4B3_cI112_230_af_g' 
_aflow_params 'a,x2,y3' 
_aflow_params_values '11.411,0.0,0.625' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'cI112' 

_symmetry_space_group_name_Hall "-I 4bd 2c 3"
_symmetry_space_group_name_H-M "I a -3 d"
_symmetry_Int_Tables_number 230

_cell_length_a    11.41100
_cell_length_b    11.41100
_cell_length_c    11.41100
_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 -y+1/4,-x+1/4,-z+1/4
14 -y+1/4,x+3/4,z+1/4
15 y+1/4,-x+1/4,z+3/4
16 y+3/4,x+1/4,-z+1/4
17 -x+1/4,-z+1/4,-y+1/4
18 -x+1/4,z+3/4,y+1/4
19 x+1/4,-z+1/4,y+3/4
20 x+3/4,z+1/4,-y+1/4
21 -z+1/4,-y+1/4,-x+1/4
22 -z+1/4,y+3/4,x+1/4
23 z+1/4,-y+1/4,x+3/4
24 z+3/4,y+1/4,-x+1/4
25 -x,-y,-z
26 -x,y,z+1/2
27 x+1/2,-y,z
28 x,y+1/2,-z
29 -y,-z,-x
30 -y,z,x+1/2
31 y+1/2,-z,x
32 y,z+1/2,-x
33 -z,-x,-y
34 -z,x,y+1/2
35 z+1/2,-x,y
36 z,x+1/2,-y
37 y+1/4,x+1/4,z+1/4
38 y+1/4,-x+3/4,-z+1/4
39 -y+1/4,x+1/4,-z+3/4
40 -y+3/4,-x+1/4,z+1/4
41 x+1/4,z+1/4,y+1/4
42 x+1/4,-z+3/4,-y+1/4
43 -x+1/4,z+1/4,-y+3/4
44 -x+3/4,-z+1/4,y+1/4
45 z+1/4,y+1/4,x+1/4
46 z+1/4,-y+3/4,-x+1/4
47 -z+1/4,y+1/4,-x+3/4
48 -z+3/4,-y+1/4,x+1/4
49 x+1/2,y+1/2,z+1/2
50 x+1/2,-y+1/2,-z
51 -x,y+1/2,-z+1/2
52 -x+1/2,-y,z+1/2
53 y+1/2,z+1/2,x+1/2
54 y+1/2,-z+1/2,-x
55 -y,z+1/2,-x+1/2
56 -y+1/2,-z,x+1/2
57 z+1/2,x+1/2,y+1/2
58 z+1/2,-x+1/2,-y
59 -z,x+1/2,-y+1/2
60 -z+1/2,-x,y+1/2
61 -y+3/4,-x+3/4,-z+3/4
62 -y+3/4,x+1/4,z+3/4
63 y+3/4,-x+3/4,z+1/4
64 y+1/4,x+3/4,-z+3/4
65 -x+3/4,-z+3/4,-y+3/4
66 -x+3/4,z+1/4,y+3/4
67 x+3/4,-z+3/4,y+1/4
68 x+1/4,z+3/4,-y+3/4
69 -z+3/4,-y+3/4,-x+3/4
70 -z+3/4,y+1/4,x+3/4
71 z+3/4,-y+3/4,x+1/4
72 z+1/4,y+3/4,-x+3/4
73 -x+1/2,-y+1/2,-z+1/2
74 -x+1/2,y+1/2,z
75 x,-y+1/2,z+1/2
76 x+1/2,y,-z+1/2
77 -y+1/2,-z+1/2,-x+1/2
78 -y+1/2,z+1/2,x
79 y,-z+1/2,x+1/2
80 y+1/2,z,-x+1/2
81 -z+1/2,-x+1/2,-y+1/2
82 -z+1/2,x+1/2,y
83 z,-x+1/2,y+1/2
84 z+1/2,x,-y+1/2
85 y+3/4,x+3/4,z+3/4
86 y+3/4,-x+1/4,-z+3/4
87 -y+3/4,x+3/4,-z+1/4
88 -y+1/4,-x+3/4,z+3/4
89 x+3/4,z+3/4,y+3/4
90 x+3/4,-z+1/4,-y+3/4
91 -x+3/4,z+3/4,-y+1/4
92 -x+1/4,-z+3/4,y+3/4
93 z+3/4,y+3/4,x+3/4
94 z+3/4,-y+1/4,-x+3/4
95 -z+3/4,y+3/4,-x+1/4
96 -z+1/4,-y+3/4,x+3/4
 
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
Ga1 Ga  16 a 0.00000 0.00000 0.00000 1.00000
Ga2 Ga  48 f 0.00000 0.00000 0.25000 1.00000
Ni1 Ni  48 g 0.12500 0.62500 0.62500 1.00000
