data_global
_amcsd_formula_title 'Ti50.75Ni47.75Fe1.50'
loop_
_publ_author_name
'Sitepu H'
_journal_name_full 'Powder Diffraction'
_journal_volume 22 
_journal_year 2007
_journal_page_first 209
_journal_page_last 218
_publ_section_title
;
 Structural refinement of neutron powder diffraction data of two-stage
 martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_database_code_amcsd 0018296
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ti.921 Ni'
_cell_length_a 2.92617
_cell_length_b 4.17272
_cell_length_c 4.69631
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 97.4036
_cell_volume 56.864
_exptl_crystal_density_diffrn      6.003
_symmetry_space_group_name_H-M 'P 1 1 21/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ti   0.58220   0.28840   0.25000   0.92100   0.01000
Ni   0.02600   0.17570   0.75000   1.07900   0.01000