data_[Cu1I4N2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7621]
_cell_length_b [6.0147]
_cell_length_c [7.7103]
_cell_angle_alpha [84.9259]
_cell_angle_beta [84.4597]
_cell_angle_gamma [89.1688]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu(I2N)2]
_chemical_formula_sum '[Cu1 I4 N2]'
_cell_volume [218.9459]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  I  I1  2  0.1384  0.6460  0.6544  1
  I  I2  2  0.3768  0.7920  0.1456  1
  N  N3  2  0.2466  0.4681  0.3480  1
]