data_global
_chemical_name_mineral 'Cuprite'
loop_
_publ_author_name
'Hafner S S'
'Nagel S'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 9
_journal_year 1983
_journal_page_first 19
_journal_page_last 22
_publ_section_title
;
 The electric field gradient at the position of copper in
 Cu2O and electronic charge density analysis by means of K-factors
;
_database_code_amcsd 7351
_chemical_formula_sum 'Cu2 O'
_cell_length_a 4.2696
_cell_length_b 4.2696
_cell_length_c 4.2696
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 77.833
_exptl_crystal_density_diffrn  6.106
_symmetry_space_group_name_H-M 'P n 3 '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+z,1/2+x,1/2-y'
  '1/2+z,1/2-x,1/2+y'
  '1/2-z,1/2+x,1/2+y'
  '1/2-z,1/2-x,1/2-y'
  'y,-z,-x'
  '-y,-z,x'
  '-y,z,-x'
  'y,z,x'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2-z'
  '-z,-x,y'
  '-z,x,-y'
  'z,-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,1/2+x'
  '1/2+y,1/2+z,1/2-x'
  '1/2+y,1/2-z,1/2+x'
  '1/2-y,1/2-z,1/2-x'
  '-x,y,-z'
  'x,-y,-z'
  '-x,-y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.25  0.25  0.25
O   0.0  0.0  0.0