data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        16.3606000000
_cell_length_b        16.3606000000
_cell_length_c        16.3606000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume          4379.229243
_space_group_crystal_system cubic
_space_group_IT_number 222
_space_group_name_H-M_alt 'Pn-3n'
_space_group_name_Hall 'P 4 2 3 -1n'
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'
  'z,x,y'
  'z,-y,x'
  'z,-x,-y'
  'z,y,-x'
  '-z,x,-y'
  '-z,-y,-x'
  '-z,-x,y'
  '-z,y,x'
  'y,z,x'
  'x,z,-y'
  '-y,z,-x'
  '-x,z,y'
  '-y,-z,x'
  '-x,-z,-y'
  'y,-z,-x'
  'x,-z,y'
  '-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'
  '-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'
  '-1/2-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,-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-y,-1/2-z,-1/2-x'
  '-1/2-x,-1/2-z,-1/2+y'
  '-1/2+y,-1/2-z,-1/2+x'
  '-1/2+x,-1/2-z,-1/2-y'
  '-1/2+y,-1/2+z,-1/2-x'
  '-1/2+x,-1/2+z,-1/2+y'
  '-1/2-y,-1/2+z,-1/2+x'
  '-1/2-x,-1/2+z,-1/2-y'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe     Fe     0.74847500000000     0.74847500000000     0.50000000000000
C      C      0.55900000000000     0.73407000000000     0.47728000000000
O      O      0.62958000000000     0.73778000000000     0.44866000000000
C      C      0.75044000000000     0.94069000000000     0.47811000000000
O      O      0.75261000000000     0.86950000000000     0.45032000000000
O      O      0.71029000000000     0.78742000000000     0.61497000000000
H      H      0.66370000000000     0.77000000000000     0.63180000000000
H      H      0.72000000000000     0.83690000000000     0.62970000000000
