# generated using pymatgen
data_Mn3FeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11898448
_cell_length_b   10.13744236
_cell_length_c   12.55937505
_cell_angle_alpha   90.03128007
_cell_angle_beta   90.00050557
_cell_angle_gamma   106.44594327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3FeH28(C7N8)4
_chemical_formula_sum   'Mn3 Fe1 H28 C28 N32'
_cell_volume   991.41661591
_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  0.15872050  0.13271501  0.55250184  1
  Mn  Mn1  1  0.34000818  0.86746259  0.05392942  1
  Fe  Fe2  1  0.83746943  0.87456326  0.44234814  1
  Mn  Mn3  1  0.65887937  0.13386542  0.94844439  1
  H  H4  1  0.11371699  0.44839844  0.58018646  1
  H  H5  1  0.38396718  0.54972405  0.08077155  1
  H  H6  1  0.88513860  0.54872597  0.41889524  1
  H  H7  1  0.61409769  0.44902504  0.92023575  1
  H  H8  1  0.18603750  0.64896591  0.46007365  1
  H  H9  1  0.31122798  0.34992779  0.96017257  1
  H  H10  1  0.81259450  0.35072870  0.53863107  1
  H  H11  1  0.68743753  0.64972790  0.04050919  1
  H  H12  1  0.38729548  0.65395874  0.30423492  1
  H  H13  1  0.11064871  0.34579415  0.80398983  1
  H  H14  1  0.61220407  0.34709116  0.69565167  1
  H  H15  1  0.88955106  0.65493024  0.19579552  1
  H  H16  1  0.50200491  0.45039287  0.27839101  1
  H  H17  1  0.99865467  0.55063999  0.77787895  1
  H  H18  1  0.49985261  0.55228304  0.72128760  1
  H  H19  1  0.00287229  0.45076857  0.22186381  1
  H  H20  1  0.52851190  0.23270361  0.34564377  1
  H  H21  1  0.97257378  0.76793916  0.84518324  1
  H  H22  1  0.47432956  0.77145819  0.65247192  1
  H  H23  1  0.02831909  0.23225333  0.15459841  1
  H  H24  1  0.49847016  0.00295500  0.37661903  1
  H  H25  1  1.00080214  0.99741589  0.87772961  1
  H  H26  1  0.50183112  0.99557388  0.62175840  1
  H  H27  1  -0.00152993  0.00257940  0.12270419  1
  H  H28  1  0.33135348  0.90239990  0.45859700  1
  H  H29  1  0.16933505  0.09692383  0.95966480  1
  H  H30  1  0.66873126  0.09877632  0.54084788  1
  H  H31  1  0.82973372  0.90307438  0.04107866  1
  C  C32  1  0.19309306  0.44830328  0.51014196  1
  C  C33  1  0.30493393  0.55056405  0.01065751  1
  C  C34  1  0.80528636  0.55091797  0.48850612  1
  C  C35  1  0.69394067  0.44901258  0.99006890  1
  C  C36  1  0.23778085  0.56296678  0.44346819  1
  C  C37  1  0.26006840  0.43617828  0.94356953  1
  C  C38  1  0.76096824  0.43667332  0.55566689  1
  C  C39  1  0.73915280  0.56370116  0.05683442  1
  C  C40  1  0.34932226  0.56582849  0.35759924  1
  C  C41  1  0.14934594  0.43391415  0.85738287  1
  C  C42  1  0.65033984  0.43478288  0.64186232  1
  C  C43  1  0.85093500  0.56658007  0.14258967  1
  C  C44  1  0.41407388  0.45476973  0.34292745  1
  C  C45  1  0.08579427  0.54558693  0.84266965  1
  C  C46  1  0.58659391  0.54635803  0.65643362  1
  C  C47  1  0.91514230  0.45525286  0.15726833  1
  C  C48  1  0.36062287  0.34110976  0.41192625  1
  C  C49  1  0.13900981  0.65878770  0.91221725  1
  C  C50  1  0.63970464  0.65944707  0.58646865  1
  C  C51  1  0.86150976  0.34163593  0.08815571  1
  C  C52  1  0.42382701  0.22309255  0.40290702  1
  C  C53  1  0.07631903  0.77704952  0.90303394  1
  C  C54  1  0.57840024  0.77839919  0.59537339  1
  C  C55  1  0.92407313  0.22339491  0.09717813  1
  C  C56  1  0.43509134  -0.00139276  0.45447871  1
  C  C57  1  0.06472891  1.00126637  0.95536270  1
  C  C58  1  0.56604844  1.00188202  0.54398957  1
  C  C59  1  0.93430718  -0.00119492  0.04511938  1
  N  N60  1  0.24521411  0.33500446  0.49264790  1
  N  N61  1  0.25333466  0.66417816  0.99363287  1
  N  N62  1  0.75209828  0.66359845  0.50441087  1
  N  N63  1  0.74654770  0.33582477  0.00715513  1
  N  N64  1  0.35769992  0.11341320  0.45967140  1
  N  N65  1  0.14162125  0.88633372  0.96038732  1
  N  N66  1  0.64518174  0.88818056  0.53833209  1
  N  N67  1  0.85774983  0.11401083  0.03995748  1
  N  N68  1  0.02123469  0.91395382  0.57052147  1
  N  N69  1  0.46730620  0.08486318  0.07567662  1
  N  N70  1  0.97052152  0.08204082  0.42249355  1
  N  N71  1  0.53442080  0.91584380  0.92752623  1
  N  N72  1  0.08226869  0.82847446  0.60913236  1
  N  N73  1  0.40620817  0.16906482  0.11581704  1
  N  N74  1  0.90475657  0.16438955  0.38313118  1
  N  N75  1  0.59434474  0.83190887  0.88583970  1
  N  N76  1  0.14967681  0.75161128  0.64543783  1
  N  N77  1  0.34402482  0.25084083  0.14954914  1
  N  N78  1  0.84166310  0.24610462  0.35064466  1
  N  N79  1  0.65458335  0.74965581  0.85081837  1
  N  N80  1  0.96800082  0.19615602  0.64827655  1
  N  N81  1  0.54344958  0.80550666  0.15785285  1
  N  N82  1  0.03194619  0.80195869  0.35124338  1
  N  N83  1  0.47055221  0.19783897  0.85048799  1
  N  N84  1  0.87981395  0.15817800  0.72423613  1
  N  N85  1  0.62970969  0.84104474  0.23439873  1
  N  N86  1  0.12060811  0.84251040  0.27599901  1
  N  N87  1  0.38046977  0.15811518  0.77555357  1
  N  N88  1  0.78589259  0.11948188  0.79647829  1
  N  N89  1  0.72463504  0.87328428  0.30749900  1
  N  N90  1  0.21515543  0.88084445  0.20392611  1
  N  N91  1  0.28406207  0.11719138  0.70473113  1
