data_[Ni1P2H34C22N2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [P-1]
_cell_length_a [6.7952]
_cell_length_b [9.1720]
_cell_length_c [10.9595]
_cell_angle_alpha [71.5865]
_cell_angle_beta [73.8366]
_cell_angle_gamma [88.7367]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiP2H34C22(NO5)2]
_chemical_formula_sum '[Ni1 P2 H34 C22 N2 O10]'
_cell_volume [620.8389]
_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
[
  Ni  Ni0  1  0.0000  0.0000  0.0000  1
  P  P1  2  0.4472  0.6244  0.1351  1
  H  H2  2  0.0032  0.8625  0.2829  1
  H  H3  2  0.0296  0.8065  0.6227  1
  H  H4  2  0.1023  0.6986  0.0746  1
  H  H5  2  0.1161  0.6470  0.7291  1
  H  H6  2  0.1290  0.2962  0.9274  1
  H  H7  2  0.1475  0.3338  0.2433  1
  H  H8  2  0.2034  0.1423  0.4924  1
  H  H9  2  0.3144  0.4871  0.9900  1
  H  H10  2  0.3167  0.9318  0.0986  1
  H  H11  2  0.3444  0.7431  0.5381  1
  H  H12  2  0.3569  0.0993  0.9891  1
  H  H13  2  0.3776  0.1413  0.3166  1
  H  H14  2  0.3860  0.8539  0.8999  1
  H  H15  2  0.3948  0.7780  0.3626  1
  H  H16  2  0.4004  0.3744  0.2898  1
  H  H17  2  0.4854  0.4933  0.6605  1
  H  H18  2  0.4961  0.3739  0.5418  1
  C  C19  2  0.0029  0.3178  0.3228  1
  C  C20  2  0.0046  0.4106  0.4146  1
  C  C21  2  0.1334  0.0730  0.7050  1
  C  C22  2  0.1766  0.5870  0.4850  1
  C  C23  2  0.1827  0.4962  0.4013  1
  C  C24  2  0.2517  0.0753  0.5790  1
  C  C25  2  0.3520  0.9173  0.8067  1
  C  C26  2  0.3630  0.6880  0.4611  1
  C  C27  2  0.3853  0.4883  0.3031  1
  C  C28  2  0.4324  0.9974  0.5660  1
  C  C29  2  0.4816  0.9177  0.6843  1
  N  N30  2  0.1815  0.9942  0.8175  1
  O  O31  2  0.0199  0.2390  0.9134  1
  O  O32  2  0.2485  0.0284  0.0654  1
  O  O33  2  0.3000  0.5933  0.0610  1
  O  O34  2  0.3261  0.4092  0.9349  1
  O  O35  2  0.4544  0.7880  0.1391  1
]