#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009856.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_9009856
_chemical_name 'Umangite'
loop_
_publ_author_name
'Heyding R D'
'Murray R M'
_journal_name_full "Canadian Journal of Chemistry"
_journal_volume 54
_journal_year 1976
_journal_page_first 841
_journal_page_last 848
_publ_section_title
;
 Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2I
 Locality: Beaverlodge Region, Saskatchewan, Canada
;
_chemical_formula_sum 'Cu3 Se2'
_cell_length_a 6.4024
_cell_length_b 6.4024
_cell_length_c 4.2786
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 175.383
_symmetry_space_group_name_H-M 'P -4 21 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,-x,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,x,-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_Uiso_or_equiv
Cu1   0.00000   0.00000   0.00000   0.02913
Cu2   0.64700   0.85300   0.21900   0.02913
Se   0.27200   0.77200   0.26400   0.02406