data_global
_amcsd_formula_title 'D4.668 Fe17 Th2'
loop_
_publ_author_name
'Isnard O'
'Miraglia S'
'Soubeyroux J'
'Fruchart D'
'Deportes J'
'Buschow K'
_journal_name_full 'Journal of Physics: Condensed Matter'
_journal_volume 5 
_journal_year 1993
_journal_page_first 5481
_journal_page_last 5490
_publ_section_title
;
 Structural study and magnetic characterization of Th2Fe17D5,
 Th2Fe17CxH5-x and Th2Fe17N3
 _cod_database_code 1008603
;
_database_code_amcsd 0016494
_chemical_formula_sum 'Th2 Fe17 D4.668'
_cell_length_a 8.682
_cell_length_b 8.682
_cell_length_c 12.56
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 819.898
_exptl_crystal_density_diffrn      8.645
_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
Th1   0.00000   0.00000   0.33510   1.00000
Fe1   0.00000   0.00000   0.09370   1.00000
Fe2   0.50000   0.00000   0.50000   1.00000
Fe3   0.28330   0.00000   0.00000   1.00000
Fe4   0.50310   0.49690   0.15720   1.00000
D1   0.50000   0.00000   0.00000   0.96000
D2   0.86720   0.00000   0.50000   0.29800