data_global
_chemical_name_mineral 'Delafossite'
loop_
_publ_author_name
'Pabst A'
_journal_name_full 'American Mineralogist'
_journal_volume 23 
_journal_year 1938
_journal_page_first 175
_journal_page_last 176
_publ_section_title
;
 Crystal structure and density of delafossite
;
_database_code_amcsd 0000018
_chemical_formula_sum 'Cu Fe O2'
_cell_length_a 5.96
_cell_length_b 5.96
_cell_length_c 5.96
_cell_angle_alpha 29.43
_cell_angle_beta 29.43
_cell_angle_gamma 29.43
_cell_volume 45.238
_exptl_crystal_density_diffrn      5.557
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.00000   0.00000   0.00000
Fe   0.50000   0.50000   0.50000
O   0.11111   0.11111   0.11111