data_global
_chemical_name_mineral 'Godlevskite'
loop_
_publ_author_name
'Merlino S'
'Makovicky E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 21 
_journal_year 2009
_journal_page_first 863
_journal_page_last 869
_publ_section_title
;
 OD (order-disorder) character of the crystal structure of godlevskite Ni9S8
;
_database_code_amcsd 0007326
_chemical_compound_source 'modelled structure, not experimental'
_chemical_formula_sum 'Ni4.5 S4'
_cell_length_a 9.38
_cell_length_b 9.38
_cell_length_c 22.44
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1974.370
_exptl_crystal_density_diffrn      5.280
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-y,-x,3/4+z'
  '-y,1/2-x,1/4+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,1/4-z'
  '1/2-x,+y,3/4-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni1   0.00000  -0.21700   0.00000   1.00000
Ni2   0.00000   0.50000   0.00000   1.00000
Ni4   0.25000  -0.27190   0.12500   0.50000
Ni5   0.50000   0.50000   0.13180   1.00000
Ni7   0.12630   0.12150   0.09210   1.00000
Ni8   0.37430  -0.37370  -0.04390   1.00000
S1   0.13380  -0.36450  -0.06480   1.00000
S1A  -0.13380  -0.36450   0.06480   1.00000
S3   0.11790  -0.11980   0.06480   1.00000
S4   0.38020  -0.38590   0.06480   1.00000