data_[Zn8P16H112C16N48O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.4105]
_cell_length_b [15.0392]
_cell_length_c [14.0917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [ZnP2H14C2(NO)6]
_chemical_formula_sum '[Zn8 P16 H112 C16 N48 O48]'
_cell_volume [2418.2125]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.5816  1
  P  P1  16  0.1215  0.1703  0.6578  1
  H  H2  16  0.0016  0.2087  0.8334  1
  H  H3  16  0.0118  0.3886  0.9037  1
  H  H4  16  0.0235  0.3296  0.7108  1
  H  H5  16  0.0324  0.0696  0.2542  1
  H  H6  16  0.0540  0.2245  0.0672  1
  H  H7  16  0.0653  0.2522  0.4400  1
  H  H8  16  0.0659  0.4264  0.2698  1
  C  C9  16  0.1148  0.1154  0.1367  1
  N  N10  16  0.0308  0.1169  0.2027  1
  N  N11  16  0.0598  0.2975  0.3860  1
  N  N12  16  0.1225  0.1806  0.0727  1
  O  O13  16  0.0428  0.0887  0.6753  1
  O  O14  16  0.0953  0.2214  0.5678  1
  O  O15  16  0.1156  0.2300  0.7480  1
]