data_global
_chemical_name_mineral 'Seinajokite'
loop_
_publ_author_name
'Kjekshus A'
'Peterzens P G'
'Rakke T'
'Andresen A F'
_journal_name_full 'Acta Chemica Scandinavica'
_journal_volume A33 
_journal_year 1979
_journal_page_first 469
_journal_page_last 480
_publ_section_title
;
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.79Cr.21Sb2
;
_database_code_amcsd 0011964
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Cr.21 Fe.79) Sb2'
_cell_length_a 5.8833
_cell_length_b 6.6072
_cell_length_c 3.2004
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 124.406
_exptl_crystal_density_diffrn      7.970
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr   0.00000   0.00000   0.00000   0.21000
Fe   0.00000   0.00000   0.00000   0.79000
Sb   0.18650   0.35790   0.00000   1.00000