# generated using pymatgen
data_MnNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32950322
_cell_length_b   11.85168031
_cell_length_c   13.33420435
_cell_angle_alpha   116.03795401
_cell_angle_beta   86.94946248
_cell_angle_gamma   90.01538902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH24C20(N3O4)4
_chemical_formula_sum   'Mn1 Ni1 H24 C20 N12 O16'
_cell_volume   1038.91881034
_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  0.49995379  0.50003962  0.50003630  1
  Mn  Mn1  1  0.99947635  0.99990217  0.50008396  1
  H  H2  1  0.44918058  0.28944645  0.57830633  1
  H  H3  1  0.05329887  0.70702943  0.41937878  1
  H  H4  1  0.55088185  0.71056393  0.42166533  1
  H  H5  1  0.95092226  0.29290568  0.58020130  1
  H  H6  1  0.45389891  0.26569028  0.75110015  1
  H  H7  1  0.04338090  0.51130623  0.24781392  1
  H  H8  1  0.54607463  0.73429607  0.24887571  1
  H  H9  1  0.95407167  0.48857440  0.75236014  1
  H  H10  1  0.53689442  0.66583147  0.92825596  1
  H  H11  1  0.96041047  0.73401035  0.06776266  1
  H  H12  1  0.46306108  0.33415398  0.07176672  1
  H  H13  1  0.03840391  0.26593413  0.93237325  1
  H  H14  1  0.53006096  0.67562520  0.74817027  1
  H  H15  1  0.97306399  0.92374653  0.24716154  1
  H  H16  1  0.46987231  0.32440752  0.25188953  1
  H  H17  1  0.03142450  0.07640466  0.75260602  1
  H  H18  1  0.39556769  0.74603166  0.59524899  1
  H  H19  1  0.10988440  0.15552894  0.39982574  1
  H  H20  1  0.60404710  0.25401319  0.40476056  1
  H  H21  1  0.88894954  0.84432334  0.60005621  1
  H  H22  1  0.21334272  0.67081291  0.59306075  1
  H  H23  1  0.29130122  0.08148635  0.39966068  1
  H  H24  1  0.78641159  0.32922250  0.40695968  1
  H  H25  1  0.70706332  0.91789499  0.60014578  1
  C  C26  1  0.46976961  0.37225073  0.65627699  1
  C  C27  1  0.03160594  0.71212093  0.34114881  1
  C  C28  1  0.53026622  0.62774938  0.34371057  1
  C  C29  1  0.97079774  0.28789327  0.65866266  1
  C  C30  1  0.47032556  0.35784682  0.75359719  1
  C  C31  1  0.02850307  0.60091954  0.24489099  1
  C  C32  1  0.52966499  0.64213937  0.24638515  1
  C  C33  1  0.97125661  0.39903496  0.75512868  1
  C  C34  1  0.49282385  0.46401296  0.85485965  1
  C  C35  1  0.00498916  0.60694277  0.14377739  1
  C  C36  1  0.50706586  0.53597536  0.14513701  1
  C  C37  1  0.99391657  0.39299124  0.85631577  1
  C  C38  1  0.51623068  0.58065900  0.85263346  1
  C  C39  1  0.98260539  0.72487758  0.14383093  1
  C  C40  1  0.48370608  0.41933496  0.14738342  1
  C  C41  1  0.01779825  0.27511375  0.85615636  1
  C  C42  1  0.51399015  0.58576876  0.75105585  1
  C  C43  1  0.98729011  0.83083438  0.24452800  1
  C  C44  1  0.48594529  0.41424744  0.24897152  1
  C  C45  1  0.01539569  0.16921081  0.75527371  1
  N  N46  1  0.49204918  0.48345572  0.65311648  1
  N  N47  1  0.00924247  0.82541790  0.34256704  1
  N  N48  1  0.50789899  0.51657532  0.34690635  1
  N  N49  1  0.99350542  0.17458407  0.65721622  1
  N  N50  1  0.49143592  0.44926870  0.95591592  1
  N  N51  1  0.00532943  0.49262084  0.04428178  1
  N  N52  1  0.50835169  0.55071423  0.04408682  1
  N  N53  1  0.99159444  0.50724655  0.95594047  1
  N  N54  1  0.86798805  0.62448660  0.59041894  1
  N  N55  1  0.62667170  0.03736124  0.40704200  1
  N  N56  1  0.13206504  0.37571961  0.40960760  1
  N  N57  1  0.37267939  0.96276794  0.59315066  1
  O  O58  1  0.71755121  0.62950500  0.54714875  1
  O  O59  1  0.77524055  0.08720266  0.45100352  1
  O  O60  1  0.28237685  0.37059633  0.45294175  1
  O  O61  1  0.22277460  0.91417051  0.55045116  1
  O  O62  1  0.90785326  0.53615677  0.61189625  1
  O  O63  1  0.59013431  0.92739807  0.38632312  1
  O  O64  1  0.09241074  0.46412675  0.38818481  1
  O  O65  1  0.41135333  0.07217763  0.61306372  1
  O  O66  1  0.97646088  0.71571526  0.61010764  1
  O  O67  1  0.51762845  0.10701145  0.38511784  1
  O  O68  1  0.02344723  0.28454006  0.38981506  1
  O  O69  1  0.48101564  0.89240452  0.61469861  1
  O  O70  1  0.34836211  0.66317743  0.58481705  1
  O  O71  1  0.15585451  0.08228693  0.40987436  1
  O  O72  1  0.65138066  0.33681512  0.41522570  1
  O  O73  1  0.84249767  0.91739577  0.58990953  1
