data_global
_amcsd_formula_title 'CrFe'
loop_
_publ_author_name
'Bergman G'
'Shoemaker D P'
_journal_name_full 'Acta Crystallographica'
_journal_volume 7 
_journal_year 1954
_journal_page_first 857
_journal_page_last 865
_publ_section_title
;
 The determination of the crystal structure of the sigma phase
 in the iron-chromium and iron-molybdenum systems
;
_database_code_amcsd 0017754
_chemical_formula_sum '(Cr2.5 Fe2.5)'
_cell_length_a 8.800
_cell_length_b 8.800
_cell_length_c 4.544
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 351.887
_exptl_crystal_density_diffrn      7.634
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,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'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
CrM1   0.00000   0.00000   0.00000   0.50000
FeM1   0.00000   0.00000   0.00000   0.50000
CrM2   0.39810   0.39810   0.00000   0.50000
FeM2   0.39810   0.39810   0.00000   0.50000
CrM3   0.46320   0.13160   0.00000   0.50000
FeM3   0.46320   0.13160   0.00000   0.50000
CrM4   0.73760   0.06530   0.00000   0.50000
FeM4   0.73760   0.06530   0.00000   0.50000
CrM5   0.18230   0.18230   0.25240   0.50000
FeM5   0.18230   0.18230   0.25240   0.50000