data_global
_amcsd_formula_title 'IrSe2'
loop_
_publ_author_name
'Wyckoff R W G'
_journal_name_full 'Crystal Structures'
_journal_volume 1 
_journal_year 1963
_journal_page_first 239
_journal_page_last 444
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_database_code_amcsd 0011775
_chemical_formula_sum 'Ir Se2'
_cell_length_a 20.94
_cell_length_b 5.93
_cell_length_c 3.74
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 464.411
_exptl_crystal_density_diffrn     10.016
_symmetry_space_group_name_H-M 'P n a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ir1  -0.07600  -0.42700   0.25000
Ir2  -0.30400  -0.44200   0.25000
Se1   0.00700   0.27000   0.25000
Se2  -0.12100  -0.04500   0.25000
Se3   0.23700   0.32400   0.25000
Se4  -0.36300  -0.07400   0.25000