data_global
_chemical_name_mineral 'Hauchecornite'
loop_
_publ_author_name
'Kocman V'
'Nuffield E W'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 12 
_journal_year 1974
_journal_page_first 269
_journal_page_last 274
_publ_section_title
;
 The crystal structure of antimonian hauchecornite from Westphalia
;
_database_code_amcsd 0005099
_chemical_compound_source 'Westphalia'
_chemical_formula_sum 'Bi1.3 Sb.7 Ni9 S8'
_cell_length_a 7.300
_cell_length_b 7.300
_cell_length_c 5.402
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 287.873
_exptl_crystal_density_diffrn      6.585
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x,-z'
  '-y,x,z'
  'x,-y,z'
  '-x,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi   0.00000   0.00000   0.00000   1.00000
SbM   0.50000   0.50000   0.50000   0.70000
BiM   0.50000   0.50000   0.50000   0.30000
Ni1   0.00000   0.00000   0.50000   1.00000
Ni2   0.18076   0.50000   0.25249   1.00000
S1   0.31274   0.00000   0.50000   1.00000
S2   0.26961   0.26961   0.00000   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi 0.01404 0.01404 0.00414 0.00000 0.00000 0.00000
SbM 0.01215 0.01215 0.00857 0.00000 0.00000 0.00000
BiM 0.01215 0.01215 0.00857 0.00000 0.00000 0.00000
Ni1 0.00783 0.00783 0.00665 0.00000 0.00000 0.00000
Ni2 0.02268 0.01404 0.00754 0.00000 0.00280 0.00000
S1 0.00729 0.01026 0.00340 0.00000 0.00000 0.00000
S2 0.00081 0.00891 0.00488 0.00054 0.00000 0.00000