# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral '$ε$-NiAl$_{3}$'
_chemical_formula_sum 'Al3 Ni'

loop_
_publ_author_name
 'A. J. Bradley'
 'A. Taylor'
_journal_name_full_name
;
 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 A Handbook of Lattice Spacings and Structures of Metals and Alloys, 1958

_aflow_title '$\epsilon$-NiAl$_{3}$ ($D0_{20}$) Structure'
_aflow_proto 'A3B_oP16_62_cd_c'
_aflow_params 'a,b/a,c/a,x_{1},z_{1},x_{2},z_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '6.5982,1.11416750023,0.727789397108,0.011,0.415,0.369,0.555,0.174,0.053,0.856'
_aflow_Strukturbericht '$D0_{20}$'
_aflow_Pearson 'oP16'

_symmetry_space_group_name_H-M "P 21/n 21/m 21/a"
_symmetry_Int_Tables_number 62
 
_cell_length_a    6.59820
_cell_length_b    7.35150
_cell_length_c    4.80210
_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+1/2,-y+1/2,-z+1/2
3 -x,y+1/2,-z
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z+1/2
7 x,-y+1/2,z
8 x+1/2,y,-z+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
Al1 Al   4 c 0.01100 0.25000 0.41500 1.00000
Ni1 Ni   4 c 0.36900 0.25000 0.55500 1.00000
Al2 Al   8 d 0.17400 0.05300 0.85600 1.00000
