data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         3.8950000000
_cell_length_b         3.8950000000
_cell_length_c         4.1710000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume            63.278345
_space_group_crystal_system tetragonal
_space_group_IT_number 99
_space_group_name_H-M_alt 'P4mm'
_space_group_name_Hall 'P 4 -2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,z'
  '-x,-y,z'
  'y,-x,z'
  '-x,y,z'
  'y,x,z'
  'x,-y,z'
  '-y,-x,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb     Pb     0.00000000000000     0.00000000000000     0.00000000000000
Ti     Ti     0.50000000000000     0.50000000000000     0.54000000000000
O      O      0.50000000000000     0.50000000000000     0.11800000000000
O      O      0.50000000000000     0.00000000000000     0.62100000000000
