# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11723316
_cell_length_b   10.13736799
_cell_length_c   12.55476573
_cell_angle_alpha   90.03477063
_cell_angle_beta   90.00109516
_cell_angle_gamma   106.44867930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   990.81770969
_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
  Fe  Fe0  1  0.16404186  0.12397629  0.55659501  1
  Mn  Mn1  1  0.33999263  0.86632738  0.05407314  1
  Mn  Mn2  1  0.84184400  0.86658215  0.44795507  1
  Cr  Cr3  1  0.65096817  0.12689545  0.94460173  1
  H  H4  1  0.11253925  0.45029565  0.58074874  1
  H  H5  1  0.38446316  0.55039705  0.08080981  1
  H  H6  1  0.88495595  0.55107356  0.41870564  1
  H  H7  1  0.61229671  0.45012821  0.91830723  1
  H  H8  1  0.18538247  0.64833318  0.46105580  1
  H  H9  1  0.31173621  0.34987138  0.96035660  1
  H  H10  1  0.81245186  0.35062900  0.53915698  1
  H  H11  1  0.68524342  0.64755178  0.03934414  1
  H  H12  1  0.38748974  0.65263497  0.30463673  1
  H  H13  1  0.11138344  0.34536512  0.80448089  1
  H  H14  1  0.61219873  0.34599873  0.69495230  1
  H  H15  1  0.88812360  0.65188821  0.19466460  1
  H  H16  1  0.50026866  0.44769459  0.27929493  1
  H  H17  1  0.99903340  0.55029194  0.77769290  1
  H  H18  1  0.49889703  0.55062440  0.72163383  1
  H  H19  1  -0.00000171  0.44736957  0.22018604  1
  H  H20  1  0.52663929  0.22946223  0.34808590  1
  H  H21  1  0.97257821  0.76774094  0.84538187  1
  H  H22  1  0.47100066  0.76780765  0.65309936  1
  H  H23  1  0.02511085  0.22825835  0.15252502  1
  H  H24  1  0.49694805  0.00366480  0.37744111  1
  H  H25  1  1.00260254  0.99845489  0.87717804  1
  H  H26  1  0.50398117  0.99876075  0.62274156  1
  H  H27  1  -0.00496443  0.00143757  0.12235873  1
  H  H28  1  0.33157712  0.90058963  0.45943666  1
  H  H29  1  0.16867909  0.09767156  0.96077968  1
  H  H30  1  0.67041715  0.09817849  0.53955667  1
  H  H31  1  0.82975928  0.89933344  0.03954060  1
  C  C32  1  0.19289205  0.44827732  0.51128970  1
  C  C33  1  0.30568170  0.55085176  0.01049373  1
  C  C34  1  0.80635060  0.55151325  0.48909237  1
  C  C35  1  0.69290478  0.44775815  0.98758312  1
  C  C36  1  0.23744725  0.56257615  0.44417667  1
  C  C37  1  0.26088325  0.43628692  0.94359097  1
  C  C38  1  0.76138502  0.43696599  0.55586671  1
  C  C39  1  0.73752989  0.56166020  0.05509901  1
  C  C40  1  0.34885902  0.56483640  0.35829864  1
  C  C41  1  0.14994400  0.43387985  0.85747695  1
  C  C42  1  0.65041047  0.43447967  0.64198616  1
  C  C43  1  0.84923311  0.56404801  0.14092217  1
  C  C44  1  0.41292532  0.45341616  0.34386555  1
  C  C45  1  0.08630084  0.54548950  0.84252500  1
  C  C46  1  0.58629690  0.54583586  0.65687713  1
  C  C47  1  0.91313077  0.45247848  0.15520538  1
  C  C48  1  0.35948890  0.34026497  0.41367093  1
  C  C49  1  0.13969635  0.65897437  0.91188048  1
  C  C50  1  0.63961804  0.65929724  0.58765032  1
  C  C51  1  0.86000782  0.33928795  0.08536367  1
  C  C52  1  0.42155416  0.22173611  0.40458013  1
  C  C53  1  0.07692420  0.77723606  0.90294238  1
  C  C54  1  0.57643180  0.77732127  0.59638485  1
  C  C55  1  0.92076652  0.22029742  0.09518369  1
  C  C56  1  0.43400850  -0.00239203  0.45566072  1
  C  C57  1  0.06497326  1.00143648  0.95533798  1
  C  C58  1  0.56644829  1.00211771  0.54459665  1
  C  C59  1  0.93207800  -0.00364245  0.04421999  1
  N  N60  1  0.24653693  0.33571936  0.49557835  1
  N  N61  1  0.25460151  0.66454669  0.99282854  1
  N  N62  1  0.75510597  0.66520909  0.50697180  1
  N  N63  1  0.74671877  0.33471299  0.00290840  1
  N  N64  1  0.35504619  0.11138439  0.46098932  1
  N  N65  1  0.14267154  0.88686905  0.96001601  1
  N  N66  1  0.64338895  0.88706087  0.53981104  1
  N  N67  1  0.85215566  0.10981506  0.03897440  1
  N  N68  1  0.02974670  0.91865144  0.57884631  1
  N  N69  1  0.48208240  0.09164115  0.06812890  1
  N  N70  1  0.98059067  0.08577859  0.43197753  1
  N  N71  1  0.53627394  0.92179212  0.92178765  1
  N  N72  1  0.09595422  0.83618561  0.61769933  1
  N  N73  1  0.41800025  0.17312182  0.11038555  1
  N  N74  1  0.91946503  0.17062787  0.39215473  1
  N  N75  1  0.59831685  0.83722390  0.88242163  1
  N  N76  1  0.15951520  0.75425807  0.64919289  1
  N  N77  1  0.34904141  0.24788672  0.14804994  1
  N  N78  1  0.85182646  0.24641411  0.35435601  1
  N  N79  1  0.65713018  0.75307749  0.85004799  1
  N  N80  1  0.95357365  0.19405567  0.65357893  1
  N  N81  1  0.53093005  0.80254940  0.14942921  1
  N  N82  1  0.03229624  0.80375036  0.35180559  1
  N  N83  1  0.45623612  0.18846485  0.84639131  1
  N  N84  1  0.87330535  0.16087943  0.73241971  1
  N  N85  1  0.62091947  0.84176392  0.22452588  1
  N  N86  1  0.12057846  0.84236136  0.27600505  1
  N  N87  1  0.37217727  0.15479850  0.76830478  1
  N  N88  1  0.79188239  0.13845197  0.81184858  1
  N  N89  1  0.71634630  0.88360787  0.29571672  1
  N  N90  1  0.21470967  0.88351010  0.20412867  1
  N  N91  1  0.28107479  0.12626877  0.69353366  1
