data_global
_chemical_name_mineral 'Tennantite-(Fe)'
loop_
_publ_author_name
'Edenharter A'
'Koto K'
'Nowacki W'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1971 
_journal_year 1971
_journal_page_first 337
_journal_page_last 341
_publ_section_title
;
 Uber pearceit, polybasit und binnit
;
_database_code_amcsd 0014744
_chemical_formula_sum 'Cu3 (As.85 Sb.15) S3'
_cell_length_a 10.232
_cell_length_b 10.232
_cell_length_c 10.232
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1071.227
_exptl_crystal_density_diffrn      4.573
_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
Cu1   0.25000   0.50000   0.00000   1.00000
Cu2   0.21590   0.00000   0.00000   1.00000
As   0.26100   0.26100   0.26100   0.85000
Sb   0.26100   0.26100   0.26100   0.15000
S   0.11990   0.11990   0.35580   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
Cu1 0.01856 0.00796 0.00796 0.00000 0.00000 0.00000
Cu2 0.01538 0.05675 0.05675 0.00000 0.00000 -0.04986
As 0.01061 0.01061 0.01061 -0.00106 -0.00106 -0.00106
Sb 0.01061 0.01061 0.01061 -0.00106 -0.00106 -0.00106
S 0.01750 0.01750 0.00265 -0.00424 -0.00053 -0.00053