data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         6.6000000000
_cell_length_b         6.6000000000
_cell_length_c         8.8100000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           383.763600
_space_group_crystal_system tetragonal
_space_group_IT_number 114
_space_group_name_H-M_alt 'P-42_1c'
_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
C      C      0.97040000000000     0.18700000000000     0.09990000000000
C      C      0.15800000000000     0.21870000000000     0.99910000000000
C      C      0.00000000000000     0.00000000000000     0.20060000000000
H      H      0.94600000000000     0.31700000000000     0.16400000000000
H      H      0.14100000000000     0.01700000000000     0.26700000000000
H      H      0.29000000000000     0.23700000000000     0.07000000000000
H      H      0.12900000000000     0.35400000000000     0.93600000000000
