data_global
_amcsd_formula_title 'Fe17 Th2'
loop_
_publ_author_name
'Isnard O'
'Soubeyroux J'
'Fruchart D'
'Jacobs T'
'Buschow K'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 186 
_journal_year 1992
_journal_page_first 135
_journal_page_last 145
_publ_section_title
;
 Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
 _cod_database_code 1008586
;
_database_code_amcsd 0016477
_chemical_formula_sum 'Th2 Fe17 C.912'
_cell_length_a 8.666
_cell_length_b 8.666
_cell_length_c 12.508
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 813.497
_exptl_crystal_density_diffrn      8.723
_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   0.34120   1.00000
Fe1   0.00000   0.00000   0.09390   1.00000
Fe2   0.50000   0.00000   0.50000   1.00000
Fe3   0.27920   0.00000   0.00000   1.00000
Fe4   0.50410   0.49590   0.15460   1.00000
C1   0.50000   0.00000   0.00000   0.30400