data_[Cu8I16N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.0612]
_cell_length_b [10.9392]
_cell_length_c [13.1897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [Cu2I4N2O]
_chemical_formula_sum '[Cu8 I16 N8 O4]'
_cell_volume [1018.8262]
_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  0.0605  0.5202  0.7766  1
  Cu  Cu1  4  0.0688  0.7692  0.7555  1
  I  I2  4  0.0087  0.1630  0.5693  1
  I  I3  4  0.2226  0.0426  0.2967  1
  I  I4  4  0.2329  0.3730  0.1402  1
  I  I5  4  0.2390  0.3279  0.8406  1
  N  N6  4  0.0380  0.7946  0.1550  1
  N  N7  4  0.2433  0.0294  0.9916  1
  O  O8  4  0.0907  0.0266  0.0219  1
]