data_global
_amcsd_formula_title 'Li2O2'
loop_
_publ_author_name
'Wyckoff R W G'
_journal_name_full 'Crystal Structures'
_journal_volume 1 
_journal_year 1963
_journal_page_first 85
_journal_page_last 237
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Lithium peroxide
;
_database_code_amcsd 0011665
_chemical_formula_sum 'Li O'
_cell_length_a 3.142
_cell_length_b 3.142
_cell_length_c 7.650
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 65.404
_exptl_crystal_density_diffrn      2.330
_symmetry_space_group_name_H-M 'P -6'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,-z'
  '-y,x-y,z'
  'x,y,-z'
  '-x+y,-x,z'
  '-y,x-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1   0.00000   0.00000   0.00000
Li2   0.33333   0.66667   0.50000
Li3   0.66667   0.33333   0.25000
O1   0.00000   0.00000   0.40100
O2   0.33333   0.66667   0.10000