data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         8.5604000000
_cell_length_b         8.5604000000
_cell_length_c         7.5746000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           555.070083
_space_group_crystal_system tetragonal
_space_group_IT_number 85
_space_group_name_H-M_alt 'P4/n'
_space_group_name_Hall 'P 4ab -1ab'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-1/2-y,x,z'
  '-1/2-x,-1/2-y,z'
  'y,-1/2-x,z'
  '-x,-y,-z'
  '-1/2+y,-x,-z'
  '-1/2+x,-1/2+y,-z'
  '-y,-1/2+x,-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bk     Bk     0.25000000000000     0.25000000000000     0.56165000000000
I      I      0.52917000000000     0.50931000000000     0.77414000000000
O      O      0.32830000000000     0.46240000000000     0.72240000000000
O      O      0.50100000000000     0.65070000000000     0.94660000000000
O      O      0.54700000000000     0.65920000000000     0.60170000000000
