# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Ni3 Ti'

loop_
_publ_author_name
 'F. Laves'
 'H. J. Wallbaum'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Kristallographie - Crystalline Materials
;
_journal_volume 101
_journal_year 1939
_journal_page_first 78
_journal_page_last 93
_publ_Section_title
;
 Die Kristallstruktur von Ni$_{3}$Ti und Si$_{2}$Ti (Zwei neue Typen.)
;

_aflow_title 'Ni$_{3}$Ti ($D0_{24}$) Structure'
_aflow_proto 'A3B_hP16_194_gh_ac'
_aflow_params 'a,c/a,x_{4}'
_aflow_params_values '5.096,1.6295133438,-0.16667'
_aflow_Strukturbericht '$D0_{24}$'
_aflow_Pearson 'hP16'

_symmetry_space_group_name_H-M "P 63/m 2/m 2/c"
_symmetry_Int_Tables_number 194
 
_cell_length_a    5.09600
_cell_length_b    5.09600
_cell_length_c    8.30400
_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 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
7 x-y,-y,-z
8 x,x-y,-z+1/2
9 y,x,-z
10 -x+y,y,-z+1/2
11 -x,-x+y,-z
12 -y,-x,-z+1/2
13 -x,-y,-z
14 -x+y,-x,-z+1/2
15 y,-x+y,-z
16 x,y,-z+1/2
17 x-y,x,-z
18 -y,x-y,-z+1/2
19 -x+y,y,z
20 -x,-x+y,z+1/2
21 -y,-x,z
22 x-y,-y,z+1/2
23 x,x-y,z
24 y,x,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
Ti1 Ti   2 a 0.00000 0.00000 0.00000 1.00000
Ti2 Ti   2 c 0.33333 0.66667 0.25000 1.00000
Ni1 Ni   6 g 0.50000 0.00000 0.00000 1.00000
Ni2 Ni   6 h -0.16667 -0.33333 0.25000 1.00000
