#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000940.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000940
_chemical_name 'Germanite'
loop_
_publ_author_name
'Tettenhorst R T'
'Corbato C E'
_journal_name_full "American Mineralogist"
_journal_volume 69
_journal_year 1984
_journal_page_first 943
_journal_page_last 947
_publ_section_title
;
 Crystal structure of germanite, Cu26Ge4Fe4S32, determined by powder X-ray
 diffraction
;
_chemical_formula_sum 'Cu13 (Ge2 Fe2) S16'
_cell_length_a 10.5862
_cell_length_b 10.5862
_cell_length_c 10.5862
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1186.370
_symmetry_space_group_name_H-M 'P -4 3 n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2+z,1/2-y,1/2-x'
  '1/2+y,1/2-x,1/2-z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2-z,1/2+y,1/2-x'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2-z,1/2+y'
  '1/2-z,1/2-y,1/2+x'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Cu1   0.00000   0.00000   0.00000   1.00000   0.01520
Cu2   0.25000   0.50000   0.00000   1.00000   0.01520
Cu3   0.25000   0.00000   0.50000   1.00000   0.01520
Cu4   0.25700   0.00000   0.00000   1.00000   0.01520
Ge   0.24000   0.24000   0.24000   0.50000   0.01646
Fe   0.24000   0.24000   0.24000   0.50000   0.01646
S1   0.12100   0.12100   0.12100   1.00000   0.01646
S2   0.37900   0.36400   0.12100   1.00000   0.01646