# generated using pymatgen
data_MnNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33072749
_cell_length_b   11.85219365
_cell_length_c   13.34067279
_cell_angle_alpha   116.07030149
_cell_angle_beta   86.95355050
_cell_angle_gamma   90.01756579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH24C20(N3O4)4
_chemical_formula_sum   'Mn1 Ni1 H24 C20 N12 O16'
_cell_volume   1039.35953835
_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  0.49990902  0.50000949  0.50001643  1
  Ni  Ni1  1  1.00001654  1.00001744  0.49996320  1
  H  H2  1  0.45031334  0.28834922  0.58023986  1
  H  H3  1  0.05289975  0.71095452  0.42180734  1
  H  H4  1  0.54985531  0.71164773  0.41974691  1
  H  H5  1  0.95024329  0.28901584  0.57794616  1
  H  H6  1  0.45366824  0.26374021  0.75350965  1
  H  H7  1  0.04332891  0.51437160  0.25002999  1
  H  H8  1  0.54620645  0.73621002  0.24644364  1
  H  H9  1  0.95490507  0.48548030  0.75013172  1
  H  H10  1  0.53603269  0.66443178  0.93171450  1
  H  H11  1  0.96154724  0.73629367  0.07012442  1
  H  H12  1  0.46388413  0.33554584  0.06831096  1
  H  H13  1  0.03788925  0.26367398  0.93001357  1
  H  H14  1  0.52916625  0.67530605  0.75121842  1
  H  H15  1  0.97305587  0.92598991  0.25007282  1
  H  H16  1  0.47080260  0.32468903  0.24880375  1
  H  H17  1  0.03066275  0.07408265  0.74974069  1
  H  H18  1  0.38747843  0.75494206  0.59923330  1
  H  H19  1  0.10634152  0.15061150  0.40369165  1
  H  H20  1  0.61202613  0.24497536  0.40076437  1
  H  H21  1  0.89305278  0.84944002  0.59604395  1
  H  H22  1  0.20659015  0.68088006  0.59953193  1
  H  H23  1  0.28720402  0.07763193  0.40647115  1
  H  H24  1  0.79292223  0.31913036  0.40051251  1
  H  H25  1  0.71197758  0.92200449  0.59290503  1
  C  C26  1  0.46993277  0.37108845  0.65869866  1
  C  C27  1  0.03100568  0.71544927  0.34340843  1
  C  C28  1  0.53016562  0.62889039  0.34130675  1
  C  C29  1  0.97048824  0.28448808  0.65651200  1
  C  C30  1  0.47008960  0.35567501  0.75535363  1
  C  C31  1  0.02820379  0.60385943  0.24692049  1
  C  C32  1  0.52984497  0.64428895  0.24465125  1
  C  C33  1  0.97115123  0.39603385  0.75316955  1
  C  C34  1  0.49256471  0.46231687  0.85624439  1
  C  C35  1  0.00548335  0.60838410  0.14505957  1
  C  C36  1  0.50727159  0.53766714  0.14377253  1
  C  C37  1  0.99329885  0.39153400  0.85509013  1
  C  C38  1  0.51600484  0.57991303  0.85564768  1
  C  C39  1  0.98286603  0.72687437  0.14611162  1
  C  C40  1  0.48392200  0.42006912  0.14437251  1
  C  C41  1  0.01709928  0.27311734  0.85397335  1
  C  C42  1  0.51384326  0.58566948  0.75483063  1
  C  C43  1  0.98722979  0.83307725  0.24696512  1
  C  C44  1  0.48617585  0.41431850  0.24518911  1
  C  C45  1  0.01460921  0.16693060  0.75295916  1
  N  N46  1  0.49267756  0.48269683  0.65709531  1
  N  N47  1  0.00926444  0.82917566  0.34567895  1
  N  N48  1  0.50749779  0.51727763  0.34290617  1
  N  N49  1  0.99231393  0.17078480  0.65428237  1
  N  N50  1  0.49112278  0.44857014  0.95655547  1
  N  N51  1  0.00619425  0.49320521  0.04448795  1
  N  N52  1  0.50861301  0.55142061  0.04346394  1
  N  N53  1  0.99127405  0.50668998  0.95573552  1
  N  N54  1  0.87217766  0.63010831  0.59259694  1
  N  N55  1  0.63314300  0.03348759  0.40990873  1
  N  N56  1  0.12777341  0.37012642  0.40746445  1
  N  N57  1  0.36666565  0.96658652  0.59024216  1
  O  O58  1  0.72310383  0.63604007  0.54894372  1
  O  O59  1  0.78283725  0.08220938  0.45396921  1
  O  O60  1  0.27672561  0.36405379  0.45115145  1
  O  O61  1  0.21606912  0.91834485  0.54728429  1
  O  O62  1  0.91038314  0.54044990  0.61270425  1
  O  O63  1  0.59495870  0.92342937  0.38755022  1
  O  O64  1  0.08984333  0.45986723  0.38741342  1
  O  O65  1  0.40577037  0.07626781  0.61167950  1
  O  O66  1  0.98030110  0.72189916  0.61464072  1
  O  O67  1  0.52421544  0.10513514  0.39055396  1
  O  O68  1  0.01956080  0.27832865  0.38527774  1
  O  O69  1  0.47554684  0.89483854  0.60953171  1
  O  O70  1  0.34197899  0.67167589  0.58915850  1
  O  O71  1  0.15208559  0.07726617  0.41331448  1
  O  O72  1  0.65751867  0.32825314  0.41084886  1
  O  O73  1  0.84715308  0.92274577  0.58641507  1
