data_global
_amcsd_formula_title 'Co6.8Se8'
loop_
_publ_author_name
'Garcia-Garcia F J'
'Larsson A K'
'Noren L'
'Withers R L'
_journal_name_full 'Solid State Sciences'
_journal_volume 6 
_journal_year 2004
_journal_page_first 725
_journal_page_last 733
_publ_section_title
;
 The crystal structures of Co3Se4 and Co7Se8
;
_database_code_amcsd 0015525
_chemical_formula_sum 'Se8 Co6.8'
_cell_length_a 12.4039
_cell_length_b 7.1793
_cell_length_c 8.1756
_cell_angle_alpha 90
_cell_angle_beta 139.903
_cell_angle_gamma 90
_cell_volume 468.924
_exptl_crystal_density_diffrn      7.312
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-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_occupancy
_atom_site_U_iso_or_equiv
Se1   0.79440   0.00000   0.25600   1.00000   0.00630
Se2   0.27780   0.00000   0.22500   1.00000   0.01600
Se3   0.45130   0.24890   0.74100   1.00000   0.01250
Co1   0.50000   0.00000   0.00000   1.00000   0.01500
Co2   0.25000   0.25000   0.00000   0.90000   0.01700
Co3   0.75800   0.00000   0.52600   1.00000   0.01500
Co4   0.50000   0.22800   0.50000   1.00000   0.01800