# CIF file
 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'MAX Phase'
_chemical_formula_sum 'Al N3 Ti4'
 
loop_
_publ_author_name
 'M. W. Barsoum'
 'C. J. Rawn'
 'T. El-Raghy'
 'A. T. Procopio'
 'W. D. Porter'
 'H. Wang'
 'C. R. Hubbard'
_journal_name_full
;
Journal of Applied Physics
;
_journal_volume 87
_journal_year 2000
_journal_page_first 8407
_journal_page_last 8414
_publ_Section_title
;
 Thermal Properties of Ti$_4$AlN$_3$
;

_aflow_proto 'AB3C4_hP16_194_c_af_ef'
_aflow_params 'a,c/a,z3,z4,z5'
_aflow_params_values '2.988,7.82195448461,0.1543,0.605,0.0539'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP16'

_symmetry_space_group_name_Hall "-P 6c 2c"
_symmetry_space_group_name_H-M "P 63/m m c"
_symmetry_Int_Tables_number 194

_cell_length_a    2.98800
_cell_length_b    2.98800
_cell_length_c    23.37200
_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
N1  N    2 a 0.00000 0.00000 0.00000 1.00000
Al1 Al   2 c 0.33333 0.66667 0.25000 1.00000
Ti1 Ti   4 e 0.00000 0.00000 0.15430 1.00000
N2  N    4 f 0.33333 0.66667 0.60500 1.00000
Ti2 Ti   4 f 0.33333 0.66667 0.05390 1.00000
