data_global
_amcsd_formula_title 'Fe17 H4.284 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 1008605
;
_database_code_amcsd 0016496
_chemical_formula_sum 'Th2 Fe17 C.588 H4.284'
_cell_length_a 8.751
_cell_length_b 8.751
_cell_length_c 12.643
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 838.487
_exptl_crystal_density_diffrn      8.465
_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   0.33990   1.00000
Fe1   0.00000   0.00000   0.09430   1.00000
Fe2   0.50000   0.00000   0.50000   1.00000
Fe3   0.28150   0.00000   0.00000   1.00000
Fe4   0.50320   0.49680   0.15170   1.00000
C1   0.50000   0.00000   0.00000   0.19600
H1   0.50000   0.00000   0.00000   0.80400
H2   0.87600   0.00000   0.50000   0.31200