# generated using pymatgen
data_CrH10C14(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40542663
_cell_length_b   9.52370588
_cell_length_c   9.52733326
_cell_angle_alpha   81.78201104
_cell_angle_beta   75.40375060
_cell_angle_gamma   75.79746785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH10C14(N3O2)2
_chemical_formula_sum   'Cr2 H20 C28 N12 O8'
_cell_volume   797.62234371
_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
  Cr  Cr0  1  0.73941359  0.95047067  0.71348049  1
  Cr  Cr1  1  0.23832934  0.71232807  0.95009380  1
  H  H2  1  0.38935302  0.01397098  0.61054003  1
  H  H3  1  0.88866999  0.61301315  0.02523369  1
  H  H4  1  0.59591322  0.48813718  0.77700128  1
  H  H5  1  0.10514351  0.77199045  0.48389854  1
  H  H6  1  0.87236360  0.87583943  0.17878026  1
  H  H7  1  0.36837660  0.17964004  0.88237760  1
  H  H8  1  0.07772805  0.30965362  0.24782422  1
  H  H9  1  0.57957657  0.24421138  0.29658605  1
  H  H10  1  0.58956332  0.92441514  0.08346987  1
  H  H11  1  0.08572845  0.08977204  0.92396077  1
  H  H12  1  0.96070055  0.11292660  0.40850938  1
  H  H13  1  0.46713659  0.40785476  0.10064309  1
  H  H14  1  0.78824059  0.63104275  0.53538434  1
  H  H15  1  0.29383060  0.53140379  0.62057044  1
  H  H16  1  0.21095723  0.03108033  0.44937480  1
  H  H17  1  0.70912638  0.45533709  0.03327643  1
  H  H18  1  0.31030735  0.98474856  0.18611510  1
  H  H19  1  0.80665284  0.19301352  0.98234836  1
  H  H20  1  0.98629712  0.56803487  0.30798272  1
  H  H21  1  0.48999422  0.30312072  0.55541368  1
  C  C22  1  0.42956606  0.99392067  0.49629295  1
  C  C23  1  0.92862353  0.49965153  0.00259144  1
  C  C24  1  0.43576602  0.90264452  0.86888566  1
  C  C25  1  0.95113250  0.86296862  0.90041822  1
  C  C26  1  0.53901536  0.75132024  0.83756151  1
  C  C27  1  0.05219153  0.82108395  0.75084089  1
  C  C28  1  0.98954245  0.33673011  0.34545843  1
  C  C29  1  0.49320245  0.34251403  0.32438879  1
  C  C30  1  0.54302889  0.94328400  0.19732202  1
  C  C31  1  0.03945204  0.20280769  0.94531626  1
  C  C32  1  0.82151290  0.26295758  0.56139882  1
  C  C33  1  0.32833323  0.56025332  0.25236490  1
  C  C34  1  0.92970830  0.22555035  0.43472812  1
  C  C35  1  0.43527181  0.43354193  0.21370033  1
  C  C36  1  0.82858057  0.51976747  0.50570279  1
  C  C37  1  0.33467972  0.50191618  0.50906731  1
  C  C38  1  0.77161586  0.40760194  0.59514582  1
  C  C39  1  0.27886291  0.59232871  0.39763451  1
  C  C40  1  0.63924069  0.93197301  0.29072198  1
  C  C41  1  0.13651547  0.29466818  0.93841286  1
  C  C42  1  0.33220676  0.00374355  0.40441290  1
  C  C43  1  0.83021477  0.40957017  0.00737889  1
  C  C44  1  0.38793155  0.97850130  0.25611337  1
  C  C45  1  0.88462817  0.26214274  0.97938808  1
  C  C46  1  0.93879526  0.48245346  0.37967446  1
  C  C47  1  0.44325660  0.37571802  0.47057505  1
  C  C48  1  0.58419528  0.95737410  0.43739426  1
  C  C49  1  0.08307483  0.43994526  0.96823255  1
  N  N50  1  0.83364286  0.91375639  0.39484434  1
  N  N51  1  0.33307596  0.39418588  0.92537944  1
  N  N52  1  0.64630930  0.26605208  0.76702919  1
  N  N53  1  0.15347418  0.76593958  0.26018630  1
  N  N54  1  0.70942963  0.94328098  0.49644803  1
  N  N55  1  0.21000687  0.49666060  0.95792397  1
  N  N56  1  0.66596828  0.40079025  0.72384360  1
  N  N57  1  0.17449030  0.72146485  0.39341261  1
  N  N58  1  0.74203301  0.18046000  0.67230657  1
  N  N59  1  0.24979750  0.67371107  0.17144223  1
  N  N60  1  0.79306176  0.90433296  0.27284253  1
  N  N61  1  0.29039668  0.27471262  0.91238647  1
  O  O62  1  0.47195290  0.64503783  0.87618620  1
  O  O63  1  0.99329551  0.85625865  0.64179019  1
  O  O64  1  0.49379022  0.01241026  0.82944198  1
  O  O65  1  1.01354603  0.81622468  0.00832337  1
  O  O66  1  0.29833373  0.90586739  0.93160035  1
  O  O67  1  0.81826482  0.93504776  0.90712742  1
  O  O68  1  0.67513355  0.74366556  0.77533448  1
  O  O69  1  0.18709054  0.75256066  0.74952430  1
