data_global
_chemical_name_mineral 'Djerfisherite'
loop_
_publ_author_name
'Dmitrieva M T'
'Ilyukhin V V'
'Bokii G B'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 24 
_journal_year 1979
_journal_page_first 683
_journal_page_last 685
_publ_section_title
;
 Close packing and cation arrangement in the djerfisherite structure
;
_database_code_amcsd 0015579
_chemical_compound_source 'Khibiny massif, Kola peninsula, Russia'
_chemical_formula_sum 'K6 Na (Fe18 Cu6) S26 Cl'
_cell_length_a 10.465
_cell_length_b 10.465
_cell_length_c 10.465
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1146.087
_exptl_crystal_density_diffrn      3.641
_symmetry_space_group_name_H-M 'P m -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,-x,y'
  '-y,z,-x'
  'x,-y,z'
  '-z,x,-y'
  'y,-z,x'
  '-x,y,-z'
  'x,-z,-y'
  '-z,y,x'
  'y,-x,-z'
  '-x,z,y'
  'z,-y,-x'
  '-y,x,z'
  'x,z,y'
  '-z,-y,-x'
  'y,x,z'
  '-x,-z,-y'
  'z,y,x'
  '-y,-x,-z'
  'z,x,-y'
  '-y,-z,x'
  'x,y,-z'
  '-z,-x,y'
  'y,z,-x'
  '-x,-y,z'
  '-z,x,y'
  'y,-z,-x'
  '-x,y,z'
  'z,-x,-y'
  '-y,z,x'
  'x,-y,-z'
  '-x,z,-y'
  'z,-y,x'
  '-y,x,-z'
  'x,-z,y'
  '-z,y,-x'
  'y,-x,z'
  '-x,-z,y'
  'z,y,-x'
  '-y,-x,z'
  'x,z,-y'
  '-z,-y,x'
  'y,x,-z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K   0.50000   0.50000   0.20100   1.00000   0.01418
Na   0.00000   0.00000   0.00000   1.00000   0.00988
Fe   0.13100   0.36900   0.13100   0.75000   0.01216
Cu   0.13100   0.36900   0.13100   0.25000   0.01216
S1   0.50000   0.25000   0.00000   1.00000   0.01216
S2   0.00000   0.25000   0.00000   1.00000   0.00988
S3   0.27200   0.27200   0.27200   1.00000   0.01140
Cl   0.50000   0.50000   0.50000   1.00000   0.01254