# generated using pymatgen
data_MnH14C20N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10937036
_cell_length_b   10.27523402
_cell_length_c   11.39129190
_cell_angle_alpha   112.04249674
_cell_angle_beta   95.08280289
_cell_angle_gamma   114.95412887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH14C20N2O5
_chemical_formula_sum   'Mn2 H28 C40 N4 O10'
_cell_volume   856.48403830
_cell_formula_units_Z   2
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  0.47417999  0.87304653  0.71562316  1
  Mn  Mn1  1  0.52584657  0.12697872  0.28439753  1
  H  H2  1  0.39129353  0.80026089  0.40011106  1
  H  H3  1  0.60869994  0.19975666  0.59990529  1
  H  H4  1  0.47304921  0.67597398  0.20701813  1
  H  H5  1  0.52691968  0.32403648  0.79298671  1
  H  H6  1  0.66156334  0.55778447  0.22734480  1
  H  H7  1  0.33839086  0.44220434  0.77263659  1
  H  H8  1  0.83126854  0.50903642  0.37526394  1
  H  H9  1  0.16869440  0.49094674  0.62470139  1
  H  H10  1  0.94433926  0.54922127  0.60092327  1
  H  H11  1  0.05558728  0.45069410  0.39902231  1
  H  H12  1  0.95814219  0.65124823  0.83981023  1
  H  H13  1  0.04180584  0.34866272  0.16013670  1
  H  H14  1  0.85876613  0.79147253  0.02446840  1
  H  H15  1  0.14118903  0.20842181  0.97549336  1
  H  H16  1  0.65706051  0.87553068  0.97306745  1
  H  H17  1  0.34296537  0.12445023  0.02693313  1
  H  H18  1  0.96873528  0.29754901  0.77882803  1
  H  H19  1  0.03132240  0.70248392  0.22119206  1
  H  H20  1  0.77320279  0.42973299  0.10883803  1
  H  H21  1  0.22684444  0.57030562  0.89117517  1
  H  H22  1  0.19999041  0.90920884  0.41676818  1
  H  H23  1  0.80002067  0.09081977  0.58325735  1
  H  H24  1  0.97338611  0.04267117  0.72545962  1
  H  H25  1  0.02661585  0.95734871  0.27456161  1
  H  H26  1  0.23670685  0.84415677  0.81309491  1
  H  H27  1  0.76329524  0.15584575  0.18691212  1
  H  H28  1  0.34013056  0.81461417  0.91377653  1
  H  H29  1  0.65987994  0.18540658  0.08623858  1
  C  C30  1  0.47173438  0.74868052  0.40948042  1
  C  C31  1  0.52825737  0.25133334  0.59052975  1
  C  C32  1  0.51864747  0.67817083  0.29958252  1
  C  C33  1  0.48132828  0.32183671  0.70041847  1
  C  C34  1  0.62388403  0.61554665  0.31115270  1
  C  C35  1  0.37608428  0.38445123  0.68883681  1
  C  C36  1  0.68559047  0.62894537  0.43543787  1
  C  C37  1  0.31438415  0.37104597  0.56454609  1
  C  C38  1  0.79664341  0.57162124  0.45931565  1
  C  C39  1  0.20332219  0.42835589  0.54065461  1
  C  C40  1  0.85645547  0.59088723  0.58352185  1
  C  C41  1  0.14349884  0.40906186  0.41643928  1
  C  C42  1  0.80858648  0.66710648  0.69337072  1
  C  C43  1  0.19137931  0.33284498  0.30659761  1
  C  C44  1  0.86825170  0.69073368  0.82212054  1
  C  C45  1  0.13170476  0.30919083  0.17783930  1
  C  C46  1  0.81448235  0.76679397  0.92275013  1
  C  C47  1  0.18548725  0.23313160  0.07721884  1
  C  C48  1  0.70098777  0.81675753  0.89460502  1
  C  C49  1  0.29901516  0.18321030  0.10538385  1
  C  C50  1  0.69517767  0.72325368  0.67223072  1
  C  C51  1  0.30481252  0.27672886  0.32775627  1
  C  C52  1  0.63332454  0.70430071  0.54325134  1
  C  C53  1  0.36666580  0.29569714  0.45674179  1
  C  C54  1  0.70152624  0.18466670  0.86889676  1
  C  C55  1  0.29851844  0.81536905  0.13112312  1
  C  C56  1  0.85466826  0.34767916  0.93657004  1
  C  C57  1  0.14538177  0.65235735  0.06344552  1
  C  C58  1  0.98262489  0.38699029  0.87548238  1
  C  C59  1  0.01742906  0.61304487  0.12453538  1
  C  C60  1  0.87267503  0.46132358  0.06138510  1
  C  C61  1  0.12737517  0.53871458  0.93863030  1
  C  C62  1  0.19430906  0.93380018  0.66113222  1
  C  C63  1  0.80570792  0.06623643  0.33889398  1
  C  C64  1  0.09487272  0.96944691  0.57875249  1
  C  C65  1  0.90513623  0.03058144  0.42127145  1
  C  C66  1  0.10896881  0.94507490  0.45197033  1
  C  C67  1  0.89104017  0.05495171  0.54805264  1
  C  C68  1  0.98615250  0.02563212  0.62698848  1
  C  C69  1  0.01385183  0.97439089  0.37303383  1
  N  N70  1  0.52367937  0.75771113  0.52769850  1
  N  N71  1  0.47632220  0.24230330  0.47230978  1
  N  N72  1  0.64245313  0.79538662  0.77236726  1
  N  N73  1  0.35755742  0.20460699  0.22762982  1
  O  O74  1  0.68240809  0.09508256  0.74868303  1
  O  O75  1  0.31764395  0.90493378  0.25134548  1
  O  O76  1  0.59497156  0.13940079  0.93005381  1
  O  O77  1  0.40506255  0.86065728  0.06996545  1
  O  O78  1  0.28730133  0.87982355  0.60565669  1
  O  O79  1  0.71276848  0.12027724  0.39439000  1
  O  O80  1  0.18056364  0.95774752  0.77569566  1
  O  O81  1  0.81940845  0.04223692  0.22431311  1
  O  O82  1  0.29516187  0.78034734  0.81717862  1
  O  O83  1  0.70485710  0.21966954  0.18283396  1
