data_global
_amcsd_formula_title 'Fe Ni S2'
loop_
_publ_author_name
'Alsen N'
_journal_name_full 'Geologiska Foreningens i Stockholm Forhandlingar'
_journal_volume 47 
_journal_year 1925
_journal_page_first 19
_journal_page_last 73
_publ_section_title
;
 Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies,
 Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
 _cod_database_code 1010432
;
_database_code_amcsd 0017355
_chemical_formula_sum '(Fe.5 Ni.5) S'
_cell_length_a 3.408
_cell_length_b 3.408
_cell_length_c 5.54
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 55.724
_exptl_crystal_density_diffrn      5.324
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1   0.00000   0.00000   0.00000   0.50000
Ni1   0.00000   0.00000   0.00000   0.50000
S1   0.33333   0.66667   0.25000   1.00000