# generated using pymatgen
data_Mn3NiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11913925
_cell_length_b   10.13492447
_cell_length_c   12.56174955
_cell_angle_alpha   90.03810592
_cell_angle_beta   89.98376632
_cell_angle_gamma   106.43434936
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3NiH28(C7N8)4
_chemical_formula_sum   'Mn3 Ni1 H28 C28 N32'
_cell_volume   991.43579753
_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
  Mn  Mn0  1  0.15964028  0.13419899  0.55608207  1
  Mn  Mn1  1  0.34272344  0.86917359  0.05273254  1
  Mn  Mn2  1  0.83996925  0.86541684  0.44644748  1
  Ni  Ni3  1  0.66117649  0.13458726  0.94510287  1
  H  H4  1  0.11377172  0.44920079  0.57863097  1
  H  H5  1  0.38413926  0.54942015  0.07910625  1
  H  H6  1  0.88391016  0.54969068  0.42032709  1
  H  H7  1  0.61251635  0.44921411  0.92173056  1
  H  H8  1  0.18720721  0.64979589  0.45937061  1
  H  H9  1  0.31070296  0.34915335  0.95962233  1
  H  H10  1  0.81102736  0.34953206  0.54025581  1
  H  H11  1  0.68704227  0.64870080  0.03992790  1
  H  H12  1  0.38853001  0.65441036  0.30287651  1
  H  H13  1  0.10920780  0.34481653  0.80314343  1
  H  H14  1  0.61164679  0.34585443  0.69735782  1
  H  H15  1  0.88936351  0.65395654  0.19626529  1
  H  H16  1  0.50421336  0.45131856  0.27782164  1
  H  H17  1  0.99561838  0.54885915  0.77780073  1
  H  H18  1  0.49658984  0.54934539  0.72243445  1
  H  H19  1  0.00449024  0.45035286  0.22128611  1
  H  H20  1  0.52694278  0.23170896  0.34304801  1
  H  H21  1  0.97346567  0.76828650  0.84300558  1
  H  H22  1  0.47312548  0.76903190  0.65686958  1
  H  H23  1  0.02662252  0.23181851  0.15620289  1
  H  H24  1  0.50390625  0.00732293  0.37713366  1
  H  H25  1  0.99688001  0.99384970  0.87733396  1
  H  H26  1  0.49688589  0.99360267  0.62233817  1
  H  H27  1  0.00219453  0.00764512  0.12251402  1
  H  H28  1  0.33327516  0.90468674  0.45528152  1
  H  H29  1  0.16728511  0.09578931  0.95625466  1
  H  H30  1  0.66776057  0.09572577  0.54430043  1
  H  H31  1  0.83212893  0.90381923  0.04363221  1
  C  C32  1  0.19552458  0.44958774  0.50963610  1
  C  C33  1  0.30331587  0.54974267  0.00978857  1
  C  C34  1  0.80313142  0.54995322  0.48968405  1
  C  C35  1  0.69534028  0.44798833  0.98993816  1
  C  C36  1  0.24000698  0.56428153  0.44280569  1
  C  C37  1  0.25868722  0.43503091  0.94289414  1
  C  C38  1  0.75890409  0.43546522  0.55669562  1
  C  C39  1  0.73964507  0.56309407  0.05665814  1
  C  C40  1  0.35171794  0.56699693  0.35704879  1
  C  C41  1  0.14728304  0.43256071  0.85705569  1
  C  C42  1  0.64810342  0.43305820  0.64290088  1
  C  C43  1  0.85178288  0.56641238  0.14218040  1
  C  C44  1  0.41700810  0.45608691  0.34272612  1
  C  C45  1  0.08276656  0.54380856  0.84265169  1
  C  C46  1  0.58319943  0.54415332  0.65730964  1
  C  C47  1  0.91705645  0.45558037  0.15661950  1
  C  C48  1  0.36399631  0.34270102  0.41209132  1
  C  C49  1  0.13602941  0.65723987  0.91211205  1
  C  C50  1  0.63574227  0.65739571  0.58779495  1
  C  C51  1  0.86411626  0.34211283  0.08707943  1
  C  C52  1  0.42533865  0.22387509  0.40225226  1
  C  C53  1  0.07492580  0.77617585  0.90229815  1
  C  C54  1  0.57460900  0.77624172  0.59769357  1
  C  C55  1  0.92509797  0.22277120  0.09709395  1
  C  C56  1  0.43709015  0.00090394  0.45403953  1
  C  C57  1  0.06320105  0.99974014  0.95430197  1
  C  C58  1  0.56376452  0.99962391  0.54548438  1
  C  C59  1  0.93556654  0.00011588  0.04548303  1
  N  N60  1  0.24976288  0.33709487  0.49353747  1
  N  N61  1  0.25033965  0.66273720  0.99338603  1
  N  N62  1  0.74971806  0.66285426  0.50619773  1
  N  N63  1  0.75206024  0.33690325  0.00504884  1
  N  N64  1  0.36007620  0.11573650  0.46080272  1
  N  N65  1  0.13985371  0.88483852  0.96041346  1
  N  N66  1  0.64013265  0.88437414  0.53903437  1
  N  N67  1  0.85882170  0.11475295  0.03945644  1
  N  N68  1  0.03030502  0.91412483  0.57362776  1
  N  N69  1  0.47214862  0.08518419  0.07456677  1
  N  N70  1  0.96867454  0.08523607  0.42665275  1
  N  N71  1  0.53086131  0.91765387  0.92499476  1
  N  N72  1  0.08984339  0.82924496  0.61413964  1
  N  N73  1  0.41358763  0.17232305  0.11199305  1
  N  N74  1  0.90951195  0.17015952  0.38578578  1
  N  N75  1  0.59395139  0.83410575  0.88580175  1
  N  N76  1  0.15145828  0.74728847  0.64810909  1
  N  N77  1  0.34970365  0.25259379  0.14690025  1
  N  N78  1  0.84841952  0.25216172  0.35139639  1
  N  N79  1  0.65217401  0.74927558  0.85309755  1
  N  N80  1  0.96760313  0.19922343  0.65398644  1
  N  N81  1  0.52900512  0.79998962  0.15026892  1
  N  N82  1  0.02977336  0.79964003  0.34999054  1
  N  N83  1  0.47111423  0.20108293  0.85059852  1
  N  N84  1  0.87442977  0.16103591  0.72803545  1
  N  N85  1  0.62408062  0.83981188  0.22288947  1
  N  N86  1  0.12419636  0.84023532  0.27711061  1
  N  N87  1  0.37984735  0.15850480  0.77701742  1
  N  N88  1  0.77620584  0.11509851  0.79708379  1
  N  N89  1  0.72292957  0.88344268  0.29216002  1
  N  N90  1  0.22221162  0.88506448  0.20768769  1
  N  N91  1  0.28029477  0.11525932  0.70768646  1
