data_global
_amcsd_formula_title 'H0.95 Ni Ti'
loop_
_publ_author_name
'Soubeyroux J'
'Fruchart D'
'Lorthioir G'
'Ochin P'
'Colin D'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 196 
_journal_year 1993
_journal_page_first 127
_journal_page_last 132
_publ_section_title
;
 Structural study of the hydrides NiTiHx (x=1.0 and 1.4)
 _cod_database_code 1008598
;
_database_code_amcsd 0016489
_chemical_formula_sum 'Ni Ti H.95'
_cell_length_a 6.2165
_cell_length_b 6.2165
_cell_length_c 12.326
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 476.337
_exptl_crystal_density_diffrn      5.998
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni1   0.21890   0.21890   0.14040   1.00000
Ti1   0.00000   0.00000   0.26700   1.00000
Ti2   0.00000   0.50000   0.25000   1.00000
Ti3   0.00000   0.50000   0.00000   1.00000
Ti4   0.00000   0.00000   0.50000   1.00000
Ti5   0.00000   0.00000   0.00000   1.00000
H1   0.00000   0.25200   0.61660   0.76000
H2   0.79500   0.75000   0.00000   0.19000