data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         4.0900000000
_cell_length_b         4.0900000000
_cell_length_c         7.2100000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           120.609601
_space_group_crystal_system tetragonal
_space_group_IT_number 129
_space_group_name_H-M_alt 'P4/nmm'
_space_group_name_Hall 'P 4ab 2ab -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'
  '-1/2+x,-y,-z'
  '-y,-x,-z'
  '-x,-1/2+y,-z'
  '-1/2+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'
  '-1/2-x,y,z'
  'y,x,z'
  'x,-1/2-y,z'
  '-1/2-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
Pb     Pb     0.25000000000000     0.25000000000000     0.20500000000000
Cl     Cl     0.25000000000000     0.25000000000000     0.65000000000000
F      F      0.75000000000000     0.25000000000000     0.00000000000000
