data_[Zn4C16N8Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5684]
_cell_length_b [11.4150]
_cell_length_c [14.3274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnC4(NCl2)2]
_chemical_formula_sum '[Zn4 C16 N8 Cl16]'
_cell_volume [1090.1336]
_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
[
  Zn  Zn0  4  0.3763  0.6906  0.5994  1
  C  C1  4  0.0082  0.5235  0.3648  1
  C  C2  4  0.1970  0.0826  0.7838  1
  C  C3  4  0.2113  0.2207  0.5671  1
  C  C4  4  0.4371  0.6418  0.8602  1
  N  N5  4  0.1029  0.0359  0.8352  1
  N  N6  4  0.3825  0.1923  0.5938  1
  Cl  Cl7  4  0.2480  0.2389  0.8242  1
  Cl  Cl8  4  0.2521  0.7090  0.1813  1
  Cl  Cl9  4  0.3000  0.6759  0.9293  1
  Cl  Cl10  4  0.4699  0.5077  0.6104  1
]