data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.4490000000
_cell_length_b         9.1740000000
_cell_length_c         5.1380000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           256.844129
_space_group_crystal_system orthorhombic
_space_group_IT_number 61
_space_group_name_H-M_alt 'Pbca'
_space_group_name_Hall '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  '-1/2+x,-y,-1/2-z'
  '-1/2-x,y,-1/2+z'
  '-x,-1/2-y,-1/2+z'
  'x,-1/2+y,-1/2-z'
  '-1/2-x,-1/2+y,-z'
  '-1/2+x,-1/2-y,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti     Ti     0.09720000000000     0.12890000000000     0.13720000000000
O      O      0.14910000000000     0.00950000000000     0.81650000000000
O      O      0.11100000000000     0.23140000000000     0.46340000000000
