# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Ni Ti'

loop_
_publ_author_name
 'H. Sitepu'
 'W. W. Schmal'
 'J. K. Stalick'
_journal_name_full
;
Applied Physics A
;
_journal_volume 74
_journal_year 2002
_journal_page_first S1719
_journal_page_last S1721
_publ_Section_title
;
 Correction of intensities for preferred orientation in neutron-diffraction data of NiTi shape-memory alloy using the generalized spherical-harmonic description
;

# Found in  AMS Database

_aflow_proto 'AB_mP4_11_e_e'
_aflow_params 'a,b/a,c/a,\beta,x1,z1,x2,z2'
_aflow_params_values '2.8837,1.42393452856,1.61854561848,82.062,0.0387,0.8252,0.5887,0.7184'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mP4'

_symmetry_space_group_name_Hall "-P 2yb"
_symmetry_space_group_name_H-M "P 1 21/m 1"
_symmetry_Int_Tables_number 11

_cell_length_a    2.88370
_cell_length_b    4.10620
_cell_length_c    4.66740
_cell_angle_alpha 90.00000
_cell_angle_beta  82.06200
_cell_angle_gamma 90.00000

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
3 -x,-y,-z
4 x,-y+1/2,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
Ni1 Ni   2 e 0.03870 0.25000 0.82520 1.00000
Ti1 Ti   2 e 0.58870 0.25000 0.71840 1.00000
