data_global
_amcsd_formula_title 'VO2'
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 0011768
_chemical_formula_sum 'V O2'
_cell_length_a 5.743
_cell_length_b 4.517
_cell_length_c 5.375
_cell_angle_alpha 90
_cell_angle_beta 122.60
_cell_angle_gamma 90
_cell_volume 117.466
_exptl_crystal_density_diffrn      4.690
_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
V   0.24200   0.97500   0.02500
O1   0.10000   0.21000   0.20000
O2   0.39000   0.69000   0.29000