data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        11.1640000000
_cell_length_b        11.1640000000
_cell_length_c        10.6380000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume          1325.866024
_space_group_crystal_system tetragonal
_space_group_IT_number 101
_space_group_name_H-M_alt 'P4_2cm'
_space_group_name_Hall 'P 4c -2c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,-1/2+z'
  '-x,-y,z'
  'y,-x,-1/2+z'
  '-x,y,-1/2+z'
  'y,x,z'
  'x,-y,-1/2+z'
  '-y,-x,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S      S      0.69474000000000     0.30526000000000     0.91107000000000
C      C      0.10050000000000     0.45770000000000     0.16120000000000
H      H      0.10980000000000     0.57640000000000     0.37050000000000
H      H      0.16650000000000     0.43480000000000     0.21250000000000
C      C      0.77150000000000     0.22850000000000     0.01650000000000
H      H      0.06710000000000     0.66540000000000     0.26760000000000
N      N      0.82340000000000     0.17660000000000     0.09020000000000
C      C      0.11330000000000     0.11330000000000     0.00150000000000
C      C      0.61420000000000     0.61420000000000     0.84170000000000
N      N      0.60880000000000     0.39120000000000     0.23470000000000
Cu     Cu     0.58511000000000     0.41489000000000     0.05521000000000
H      H      0.07650000000000     0.39170000000000     0.11060000000000
C      C      0.04340000000000     0.60120000000000     0.32090000000000
S      S      0.12252000000000     0.12252000000000     0.15749000000000
N      N      0.89070000000000     0.10930000000000     0.39340000000000
H      H      0.98050000000000     0.62720000000000     0.37450000000000
H      H      0.12350000000000     0.52250000000000     0.10850000000000
Cu     Cu     0.91399000000000     0.08601000000000     0.21482000000000
N      N      0.00000000000000     0.50000000000000     0.24220000000000
S      S      0.62448000000000     0.62448000000000     0.99766000000000
