data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         4.5570000000
_cell_length_b         4.5570000000
_cell_length_c        20.9370000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       120.0000
_cell_volume           376.533084
_space_group_crystal_system trigonal
_space_group_IT_number 156
_space_group_name_H-M_alt 'P3m1'
_space_group_name_Hall 'P 3 -2"'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x-y,z'
  '-x+y,-x,z'
  '-y,-x,z'
  '-x+y,y,z'
  'x,x-y,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
Pb     Pb     0.00000000000000     0.00000000000000     0.33333333000000
Pb     Pb     0.66666667000000     0.33333333000000     0.66666667000000
I      I      0.00000000000000     0.00000000000000     0.57900000000000
I      I      0.33333333000000     0.66666667000000     0.08800000000000
I      I      0.66666667000000     0.33333333000000     0.91200000000000
I      I      0.33333333000000     0.66666667000000     0.75500000000000
I      I      0.66666667000000     0.33333333000000     0.24500000000000
I      I      0.33333333000000     0.66666667000000     0.42100000000000
