data_global
_chemical_name_mineral 'Baddeleyite'
loop_
_publ_author_name
'Naray-Szabo S'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 94 
_journal_year 1936
_journal_page_first 414
_journal_page_last 416
_publ_section_title
;
 Zur Struktur des Baddeleyits Zr O2
 _cod_database_code 1010912
;
_database_code_amcsd 0017640
_chemical_formula_sum 'Zr O2'
_cell_length_a 5.21
_cell_length_b 5.26
_cell_length_c 5.37
_cell_angle_alpha 90
_cell_angle_beta 80.53
_cell_angle_gamma 90
_cell_volume 145.157
_exptl_crystal_density_diffrn      5.638
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zr1   0.00000   0.00000   0.00000
Zr2   0.50000   0.50000   0.00000
O1   0.20000   0.22000   0.21000
O2   0.28800   0.75000   0.21000