# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Al3 Ni2'
 
loop_
_publ_author_name
 'A. J. Bradley'
 'A. Taylor'
_journal_name_full
;
Philosophical Magazine
;
_journal_volume 23
_journal_year 1937
_journal_page_first 1049
_journal_page_last 1067
_publ_Section_title
;
 The crystal structures of Ni$_2$Al$_3$ and NiAl$_3$
;

# Found in  http://materials.springer.com/lb/docs/sm_lbs_978-3-540-44752-8_197

_aflow_proto 'A3B2_hP5_164_ad_d' 
_aflow_params 'a,c/a,z2,z3' 
_aflow_params_values '4.0282,1.21409066084,0.648,0.149' 
_aflow_Strukturbericht 'D5_13' 
_aflow_Pearson 'hP5' 

_symmetry_space_group_name_Hall "-P 3 2"
_symmetry_space_group_name_H-M "P -3 m 1"
_symmetry_Int_Tables_number 164

_cell_length_a    4.02820
_cell_length_b    4.02820
_cell_length_c    4.89060
_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,-y,-z
5 y,x,-z
6 -x,-x+y,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -x+y,y,z
11 -y,-x,z
12 x,x-y,z
 
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   1 a 0.00000 0.00000 0.00000 1.00000
Al2 Al   2 d 0.33333 0.66667 0.64800 1.00000
Ni1 Ni   2 d 0.33333 0.66667 0.14900 1.00000
