data_global
_amcsd_formula_title 'D4.55 Fe17 Nd2'
loop_
_publ_author_name
'Isnard O'
'Miraglia S'
'Soubeyroux J'
'Fruchart D'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 162 
_journal_year 1990
_journal_page_first 273
_journal_page_last 284
_publ_section_title
;
 Neutron diffraction study of the structural and magnetic properties of
 the R2Fe17Hx(Dx) ternary compounds (R=Ce,Nd and Ho)
 _cod_database_code 1008458
;
_database_code_amcsd 0016362
_chemical_formula_sum 'Nd2 Fe17 D4.548'
_cell_length_a 8.680
_cell_length_b 8.680
_cell_length_c 12.525
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 817.237
_exptl_crystal_density_diffrn      7.602
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1   0.00000   0.00000   0.34000   1.00000
Fe1   0.00000   0.00000   0.09600   1.00000
Fe2   0.50000   0.00000   0.50000   1.00000
Fe3   0.28320   0.00000   0.00000   1.00000
Fe4   0.50400  -0.50400   0.15670   1.00000
D1   0.50000   0.00000   0.00000   0.86000
D2   0.86500   0.00000   0.50000   0.32800