data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        12.4727000000
_cell_length_b        12.4727000000
_cell_length_c         6.0594000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           942.650226
_space_group_crystal_system tetragonal
_space_group_IT_number 106
_space_group_name_H-M_alt 'P4_2bc'
_space_group_name_Hall 'P 4c -2ab'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,-1/2+z'
  '-x,-y,z'
  'y,-x,-1/2+z'
  '-1/2-x,-1/2+y,z'
  '-1/2+y,-1/2+x,-1/2+z'
  '-1/2+x,-1/2-y,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
O      O      0.22075000000000     0.53212000000000     0.57520000000000
C      C      0.28355000000000     0.44181000000000     0.55500000000000
C      C      0.25921000000000     0.39071000000000     0.36620000000000
H      H      0.29150000000000     0.32770000000000     0.31200000000000
C      C      0.17664000000000     0.45143000000000     0.25980000000000
H      H      0.14370000000000     0.43660000000000     0.12400000000000
C      C      0.15647000000000     0.53515000000000     0.39100000000000
H      H      0.10870000000000     0.59490000000000     0.38100000000000
C      C      0.35906000000000     0.42186000000000     0.73910000000000
H      H      0.40506300000000     0.36067200000000     0.70264500000000
H      H      0.31855400000000     0.40609700000000     0.87381900000000
H      H      0.40354000000000     0.48561500000000     0.76264600000000
