data_global
_amcsd_formula_title 'MnO2'
loop_
_publ_author_name
'Kondrashev Y D'
'Zaslavskii A I'
_journal_name_full 'Izvestiya Akademii Nauk SSSR'
_journal_volume 15 
_journal_year 1951
_journal_page_first 179
_journal_page_last 186
_publ_section_title
;
 The structure of the modifications of manganese oxide
;
_database_code_amcsd 0017792
_chemical_formula_sum 'Mn O2'
_cell_length_a 9.815
_cell_length_b 9.815
_cell_length_c 2.847
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 274.263
_exptl_crystal_density_diffrn      4.211
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn   0.33000   0.15000   0.50000
O1   0.20500   0.16000   0.00000
O2   0.45800   0.16000   0.00000