data_global
_chemical_name_mineral 'Renierite'
loop_
_publ_author_name
'Bernstein L R'
'Reichel D G'
'Merlino S'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 1177
_journal_page_last 1181
_publ_section_title
;
 Renierite crystal structure refined from Rietveld analysis of powder
 neutron-diffrection data
;
_database_code_amcsd 0001278
_chemical_formula_sum 'Cu9.36 Zn Ge1.62 Fe3.56 S16'
_cell_length_a 10.6226
_cell_length_b 10.6226
_cell_length_c 10.5506
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1190.526
_exptl_crystal_density_diffrn      4.156
_symmetry_space_group_name_H-M 'P -4 2 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,-x,-z'
  '-x,y,1/2-z'
  '-x,-y,z'
  'y,x,1/2+z'
  '-y,x,-z'
  'x,-y,1/2-z'
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   0.24840   0.00000   0.25000   0.82000   0.02026
Cu2   0.23360   0.50000   0.25000   0.90000   0.02280
Cu3   0.00000   0.50000   0.00150   0.96000   0.01646
Cu4   0.25440   0.25850   0.51070   1.00000   0.01773
Zn   0.00000   0.00000   0.00000   1.00000   0.03040
Ge   0.00000   0.24980   0.25000   0.81000   0.00760
Fe1   0.50000   0.26460   0.25000   0.90000   0.01140
Fe2   0.50000   0.00000   0.25000   0.84000   0.01140
Fe3   0.50000   0.50000   0.00000   0.92000   0.00380
S1   0.39380   0.13900   0.12400   1.00000   0.01267
S2   0.12320   0.36990   0.11860   1.00000   0.01267
S3   0.37970   0.37660   0.37360   1.00000   0.01267
S4   0.12250   0.13980   0.38520   1.00000   0.01267