#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000062.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000062
_chemical_name 'Covellite'
loop_
_publ_author_name
'Berry L G'
_journal_name_full "American Mineralogist"
_journal_volume 39
_journal_year 1954
_journal_page_first 504
_journal_page_last 509
_publ_section_title
;
 The crystal structure of covellite, CuS and klockmannite, CuSe
;
_chemical_formula_sum 'Cu S'
_cell_length_a 3.796
_cell_length_b 3.796
_cell_length_c 16.36
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 204.158
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_symmetry_equiv_pos_as_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
_atom_site_Uiso_or_equiv
Cu1   0.33333   0.66667   0.75000   0.02330
Cu2   0.33333   0.66667   0.10700   0.02330
S1   0.33333   0.66667   0.25000   0.02330
S2   0.00000   0.00000   0.06400   0.02330