data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        20.2970000000
_cell_length_b        14.6610000000
_cell_length_c         8.7350000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume          2599.311659
_space_group_crystal_system orthorhombic
_space_group_IT_number 66
_space_group_name_H-M_alt 'Cccm'
_space_group_name_Hall '-C 2 2c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  '-x,y,-z'
  'x,-y,z'
  '-x,-1/2-y,z'
  'x,-1/2+y,-z'
  'x,-1/2-y,-z'
  '-x,-1/2+y,z'
  '-1/2+x,y,-1/2+z'
  '-1/2-x,-y,-1/2-z'
  '-1/2-x,y,-1/2-z'
  '-1/2+x,-y,-1/2+z'
  '-1/2-x,-1/2-y,-1/2+z'
  '-1/2+x,-1/2+y,-1/2-z'
  '-1/2+x,-1/2-y,-1/2-z'
  '-1/2-x,-1/2+y,-1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Th     Th     0.50000000000000     0.00000000000000     0.00000000000000
Th     Th     0.50000000000000     0.25000000000000     0.00000000000000
Th     Th     0.17160000000000     0.00000000000000     0.32700000000000
I      I      0.25000000000000     0.18260000000000     0.25000000000000
I      I      0.45100000000000     0.13020000000000     0.28940000000000
I      I      0.37730000000000     0.37080000000000     0.11330000000000
I      I      0.19940000000000     0.00000000000000     0.96820000000000
