data_global
_chemical_name_mineral 'Tennantite'
loop_
_publ_author_name
'Makovicky E'
'Karanovic L'
'Poleti D'
'Balic-Zunic T'
'Paar W H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 679
_journal_page_last 688
_publ_section_title
;
 Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13
 Sample: Cerro Atajo, Catamarco, Argentina
;
_database_code_amcsd 0006002
_chemical_formula_sum 'Cu12.54 (As3.92 Sb.08) S13'
_cell_length_a 10.1756
_cell_length_b 10.1756
_cell_length_c 10.1756
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1053.610
_exptl_crystal_density_diffrn      4.782
_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
_atom_site_U_iso_or_equiv
Cu1   0.25000   0.50000   0.00000   1.00000   0.02380
Cu2A   0.21740   0.00000   0.00000   0.75000   0.04600
Cu2B   0.07500   0.07500  -0.21390   0.17000   0.05000
As   0.25860   0.25860   0.25860   0.98000   0.01800
Sb   0.25860   0.25860   0.25860   0.02000   0.01800
S1   0.11840   0.11840   0.35700   1.00000   0.01830
S2   0.00000   0.00000   0.00000   1.00000   0.02000
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 0.03090 0.02020 0.02020 0.00000 0.00000 0.00000
Cu2A 0.01750 0.06000 0.06000 0.00000 0.00000 -0.03200
Cu2B 0.05700 0.05700 0.03500 0.02500 0.01800 0.01800
As 0.01800 0.01800 0.01800 -0.00020 -0.00020 -0.00020
Sb 0.01800 0.01800 0.01800 -0.00020 -0.00020 -0.00020
S1 0.01950 0.01950 0.01580 -0.00010 0.00190 0.00190
S2 0.02050 0.02050 0.02050 0.00000 0.00000 0.00000