data_global
_amcsd_formula_title 'As5 Fe12'
loop_
_publ_author_name
'Maaref S'
'Maddar R'
'Chaudouet P'
'Fruchart R'
'Senateur J'
'Averbuch-Pouchot M'
'Bacmann M'
'Durif A'
'Wolfers P'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 18 
_journal_year 1983
_journal_page_first 473
_journal_page_last 480
_publ_section_title
;
 Etude de la structure et des conditions de stabilite d'un nouvel
 arseniure de fer: Fe12 As5
 _cod_database_code 1007246
;
_database_code_amcsd 0015928
_chemical_formula_sum 'As5 Fe12'
_cell_length_a 6.7855
_cell_length_b 6.7855
_cell_length_c 16.30099
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 649.992
_exptl_crystal_density_diffrn      8.007
_symmetry_space_group_name_H-M 'R 3'
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'
  '-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
As1   0.00000   0.00000   0.00000
As2   0.00000   0.00000   0.70820
As3   0.31440   0.33320   0.18740
Fe1   0.00000   0.00000   0.23550
Fe2   0.00000   0.00000   0.47220
Fe3   0.00000   0.00000   0.85480
Fe4   0.05700   0.41740   0.27240
Fe5   0.75090   0.72360   0.10260
Fe6   0.33340   0.43050   0.02040