data_global
_amcsd_formula_title 'Cr6Fe18Mo5'
loop_
_publ_author_name
'Kasper J S'
_journal_name_full 'Acta Metallurgica'
_journal_volume 2 
_journal_year 1954
_journal_page_first 456
_journal_page_last 461
_publ_section_title
;
 The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system
;
_database_code_amcsd 0017755
_chemical_formula_sum '(Cr6 Fe18) Mo5'
_cell_length_a 8.92
_cell_length_b 8.92
_cell_length_c 8.92
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 709.732
_exptl_crystal_density_diffrn      8.408
_symmetry_space_group_name_H-M 'I -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-z,x,-y'
  '1/2-z,1/2+x,1/2-y'
  '-y,z,-x'
  '1/2-y,1/2+z,1/2-x'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,-z,-y'
  '1/2+x,1/2-z,1/2-y'
  'z,-y,-x'
  '1/2+z,1/2-y,1/2-x'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  'x,z,y'
  '1/2+x,1/2+z,1/2+y'
  'z,y,x'
  '1/2+z,1/2+y,1/2+x'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '1/2-z,1/2-x,1/2+y'
  '-y,-z,x'
  '1/2-y,1/2-z,1/2+x'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'z,-x,-y'
  '1/2+z,1/2-x,1/2-y'
  'y,-z,-x'
  '1/2+y,1/2-z,1/2-x'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,z,-y'
  '1/2-x,1/2+z,1/2-y'
  '-z,y,-x'
  '1/2-z,1/2+y,1/2-x'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '-x,-z,y'
  '1/2-x,1/2-z,1/2+y'
  '-z,-y,x'
  '1/2-z,1/2-y,1/2+x'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
CrD1   0.35600   0.35600   0.04200   0.37500
FeD1   0.35600   0.35600   0.04200   0.62500
CrD2   0.08900   0.08900   0.27800   0.12500
FeD2   0.08900   0.08900   0.27800   0.87500
Mo1   0.00000   0.00000   0.00000   1.00000
Mo2   0.31700   0.31700   0.31700   1.00000