data_[Cu4H16C16S8I4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5107]
_cell_length_b [6.8068]
_cell_length_c [18.1749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuH4C4S2IN2]
_chemical_formula_sum '[Cu4 H16 C16 S8 I4 N8]'
_cell_volume [804.2005]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cu  Cu0  4  0.0786  0.6119  0.8162  1
  H  H1  4  0.1516  0.6525  0.0656  1
  H  H2  4  0.2664  0.0775  0.9335  1
  H  H3  4  0.3090  0.5101  0.3103  1
  H  H4  4  0.4417  0.7258  0.9997  1
  C  C5  4  0.2462  0.7276  0.6656  1
  C  C6  4  0.4060  0.1230  0.9081  1
  C  C7  4  0.4150  0.6247  0.7049  1
  C  C8  4  0.4398  0.7272  0.5567  1
  S  S9  4  0.0290  0.7098  0.2073  1
  S  S10  4  0.4202  0.5762  0.7955  1
  I  I11  4  0.0709  0.2477  0.0695  1
  N  N12  4  0.2692  0.7279  0.0940  1
  N  N13  4  0.4255  0.0705  0.8362  1
]