data_[Cu4H24I4N8]
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
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6027]
_cell_length_b [11.3570]
_cell_length_c [5.6998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuH6IN2]
_chemical_formula_sum '[Cu4 H24 I4 N8]'
_cell_volume [517.2932]
_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  0.0000  0.4204  0.2500  1.0
  H  H1  8  0.2068  0.0022  0.4447  1.0
  H  H2  8  0.2074  0.1269  0.5912  1.0
  H  H3  8  0.2234  0.1276  0.3174  1.0
  I  I4  4  0.0000  0.1938  0.7500  1.0
  N  N5  8  0.2368  0.4159  0.4965  1.0
]