# generated using pymatgen
data_NiH28C14(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13994132
_cell_length_b   8.06861003
_cell_length_c   8.73978671
_cell_angle_alpha   87.84973277
_cell_angle_beta   90.25040960
_cell_angle_gamma   76.58506833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH28C14(NO6)2
_chemical_formula_sum   'Ni1 H28 C14 N2 O12'
_cell_volume   489.36714697
_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  0.49999723  0.99999888  0.49999528  1
  H  H1  1  0.69978965  0.32456339  0.21910703  1
  H  H2  1  0.30021324  0.67544033  0.78089538  1
  H  H3  1  0.85112853  0.45778823  0.42394787  1
  H  H4  1  0.14887625  0.54220942  0.57605617  1
  H  H5  1  0.04421114  0.26937384  0.41908040  1
  H  H6  1  0.95579019  0.73061846  0.58092651  1
  H  H7  1  -0.00151388  0.04569805  0.27226656  1
  H  H8  1  1.00151255  0.95430055  0.72773693  1
  H  H9  1  0.01276252  0.12403687  0.08145296  1
  H  H10  1  0.98724531  0.87596170  0.91855225  1
  H  H11  1  0.83895339  0.56017930  0.18330102  1
  H  H12  1  0.16105213  0.43982170  0.81670757  1
  H  H13  1  0.66608686  0.45909186  0.97207416  1
  H  H14  1  0.33391980  0.54090974  0.02793331  1
  H  H15  1  0.87829758  0.31694934  0.91478126  1
  H  H16  1  0.12170916  0.68305258  0.08522529  1
  H  H17  1  0.18004131  0.42177174  0.24827746  1
  H  H18  1  0.81996508  0.57823000  0.75172774  1
  H  H19  1  0.19643360  0.29462893  0.08577099  1
  H  H20  1  0.80357312  0.70537173  0.91423495  1
  H  H21  1  0.57537218  0.90753063  0.78855280  1
  H  H22  1  0.42462708  0.09247081  0.21143992  1
  H  H23  1  0.69426935  0.04295918  0.72145669  1
  H  H24  1  0.30572724  0.95704138  0.27853095  1
  H  H25  1  0.31208682  0.18865643  0.71350382  1
  H  H26  1  0.68790495  0.81134464  0.28648785  1
  H  H27  1  0.47456125  0.27225610  0.64054495  1
  H  H28  1  0.52542986  0.72774346  0.35944532  1
  C  C29  1  0.88943778  0.32208802  0.39921473  1
  C  C30  1  0.11056419  0.67790992  0.60078949  1
  C  C31  1  0.77445408  0.22418359  0.49916125  1
  C  C32  1  0.22553879  0.77581637  0.50083951  1
  C  C33  1  0.91737155  0.12403966  0.17903661  1
  C  C34  1  0.08263096  0.87595873  0.82096525  1
  C  C35  1  0.74330155  0.05452968  0.13502879  1
  C  C36  1  0.25670104  0.94547121  0.86496796  1
  C  C37  1  0.90622855  0.43929278  0.13028494  1
  C  C38  1  0.09377799  0.56070843  0.86972119  1
  C  C39  1  0.82337596  0.43957579  0.96851128  1
  C  C40  1  0.17663020  0.56042719  0.03149477  1
  C  C41  1  0.12474486  0.41801787  0.13136021  1
  C  C42  1  0.87526096  0.58198423  0.86864509  1
  N  N43  1  0.84742561  0.30402795  0.23250806  1
  N  N44  1  0.15257786  0.69597227  0.76749528  1
  O  O45  1  0.70979005  0.11155193  0.43109299  1
  O  O46  1  0.29019989  0.88845539  0.56890068  1
  O  O47  1  0.74908371  0.25828287  0.63880725  1
  O  O48  1  0.25090473  0.74171295  0.36119347  1
  O  O49  1  0.58576472  0.16419343  0.10740551  1
  O  O50  1  0.41423982  0.83580996  0.89259115  1
  O  O51  1  0.76974177  0.89393581  0.13002270  1
  O  O52  1  0.23025635  0.10606508  0.86997171  1
  O  O53  1  0.66041067  0.93359499  0.70300836  1
  O  O54  1  0.33958378  0.06640609  0.29698048  1
  O  O55  1  0.36059229  0.22898112  0.61374836  1
  O  O56  1  0.63940066  0.77101576  0.38624195  1
