# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta-prime palladium aluminum'
_chemical_formula_sum 'Pd Al'
 
loop_
_publ_author_name
 'T. Matkovi\'{c}'
 'K. Schubert'
_journal_name_full
;
Journal of the Less-Common Metals
;
_journal_volume 55
_journal_year 1977
_journal_page_first 45
_journal_page_last 52
_publ_Section_title
;
 Kristallstruktur vo PdAl.r
;

# Found in  http://materials.springer.com/lb/docs/sm_lbs_978-3-540-70892-6_476

_aflow_proto 'AB_hR26_148_b2f_a2f' 
_aflow_params 'a,c/a,x3,y3,z3,x4,y4,z4,x5,y5,z5,x6,y6,z6' 
_aflow_params_values '15.659,0.335334312536,0.054,0.346,0.098,0.754,0.15699,0.6,0.555,0.84401,0.599,0.252,0.65501,0.098'
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'hR26' 

_symmetry_space_group_name_Hall "-R 3"
_symmetry_space_group_name_H-M "R -3:H"
_symmetry_Int_Tables_number 148

_cell_length_a    15.65900
_cell_length_b    15.65900
_cell_length_c    5.25100
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,-z
5 y,-x+y,-z
6 x-y,x,-z
7 x+1/3,y+2/3,z+2/3
8 -y+1/3,x-y+2/3,z+2/3
9 -x+y+1/3,-x+2/3,z+2/3
10 -x+1/3,-y+2/3,-z+2/3
11 y+1/3,-x+y+2/3,-z+2/3
12 x-y+1/3,x+2/3,-z+2/3
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 -x+2/3,-y+1/3,-z+1/3
17 y+2/3,-x+y+1/3,-z+1/3
18 x-y+2/3,x+1/3,-z+1/3
 
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
Pd1 Pd   3 a 0.00000 0.00000  0.00000 1.00000
Al1 Al   3 b 0.00000 0.00000  0.50000 1.00000
Al2 Al  18 f 0.88800 0.06800  0.16600 1.00000
Al3 Al  18 f 0.58367 0.57033  0.17033 1.00000
Pd2 Pd  18 f 0.22233 0.73367  0.33267 1.00000
Pd3 Pd  18 f 0.25033 -0.09633 0.00167 1.00000
