data_global
_amcsd_formula_title 'As2Se3'
loop_
_publ_author_name
'Kirkinskii V A'
'Yakushev V G'
_journal_name_full 'Doklady Chemistry'
_journal_volume 182 
_journal_year 1968
_journal_page_first 896
_journal_page_last 898
_publ_section_title
;
 A new polymorphic modification of arsenic selenide obtained at high presssures
;
_database_code_amcsd 0020525
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'As2 Se3'
_cell_length_a 13.37
_cell_length_b 3.73
_cell_length_c 9.31
_cell_angle_alpha 90
_cell_angle_beta 95
_cell_angle_gamma 90
_cell_volume 462.524
_exptl_crystal_density_diffrn      5.554
_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
As1   0.20500   0.00000   0.14500
As2   0.11500   0.50000   0.44500
Se1   0.03200   0.00000   0.28200
Se2   0.28000   0.50000   0.33700
Se3   0.37500   0.00000   0.03400