data_global
_chemical_name_mineral 'Covellite'
loop_
_publ_author_name
'Ohmasa M'
'Suzuki M'
'Takeuchi Y'
_journal_name_full 'Mineralogical Journal'
_journal_volume 8 
_journal_year 1977
_journal_page_first 311
_journal_page_last 319
_publ_section_title
;
 A refinement of the crystal structure of covellite, CuS
;
_database_code_amcsd 0014418
_chemical_compound_source 'Kosaka mine, Akita Prefecture, Japan'
_chemical_formula_sum 'Cu S'
_cell_length_a 3.796
_cell_length_b 3.796
_cell_length_c 16.382
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 204.433
_exptl_crystal_density_diffrn      4.660
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.33333   0.66667   0.75000
Cu2   0.33333   0.66667   0.10724
S1   0.33333   0.66667   0.25000
S2   0.00000   0.00000   0.06370
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 0.03220 0.03220 0.04120 0.01610 0.00000 0.00000
Cu2 0.01660 0.01660 0.01390 0.00830 0.00000 0.00000
S1 0.02590 0.02590 0.01170 0.01295 0.00000 0.00000
S2 0.01150 0.01150 0.00960 0.00575 0.00000 0.00000