data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         9.4160000000
_cell_length_b         9.4160000000
_cell_length_c         9.2370000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           818.962174
_space_group_crystal_system tetragonal
_space_group_IT_number 104
_space_group_name_H-M_alt 'P4nc'
_space_group_name_Hall 'P 4 -2n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,z'
  '-x,-y,z'
  'y,-x,z'
  '-1/2-x,-1/2+y,-1/2+z'
  '-1/2+y,-1/2+x,-1/2+z'
  '-1/2+x,-1/2-y,-1/2+z'
  '-1/2-y,-1/2-x,-1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I      I      0.00000000000000     0.00000000000000     0.71450000000000
I      I      0.00000000000000     0.00000000000000     0.28490000000000
I      I      0.33020000000000     0.14550000000000     0.00010000000000
Tl     Tl     0.35490000000000     0.85230000000000     0.24800000000000
Hg     Hg     0.00000000000000     0.00000000000000     0.99700000000000
