data_global
_chemical_name_mineral 'Berzelianite'
loop_
_publ_author_name
'Rahlfs P'
_journal_name_full 'Zeitschrift fur Physikalische Chemie'
_journal_volume B31 
_journal_year 1936
_journal_page_first 157
_journal_page_last 194
_publ_section_title
;
 Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und
 Telluride des Silbers und des einwertigen Kupfers
 _cod_database_code 1010581
;
_database_code_amcsd 0017465
_chemical_formula_sum 'Se Cu2'
_cell_length_a 5.840
_cell_length_b 5.840
_cell_length_c 5.840
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 199.177
_exptl_crystal_density_diffrn      6.872
_symmetry_space_group_name_H-M 'F 2 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '-z,-x,y'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  '-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '-y,-z,x'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Se1   0.00000   0.00000   0.00000   1.00000
Cu1   0.25000   0.25000   0.25000   1.00000
Cu2   0.50000   0.50000   0.50000   0.25000
Cu3   0.33330   0.33330   0.33330   0.09380
Cu4   0.66670   0.66670   0.66670   0.09380