# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11816808
_cell_length_b   10.13596446
_cell_length_c   12.55835793
_cell_angle_alpha   90.03804928
_cell_angle_beta   89.98308099
_cell_angle_gamma   106.44771206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   991.08303964
_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  0.16321518  0.13222821  0.55120008  1
  Fe  Fe1  1  0.33001475  0.86838119  0.05945126  1
  Mn  Mn2  1  0.83747302  0.86699694  0.44582774  1
  V  V3  1  0.65826571  0.12683649  0.94620757  1
  H  H4  1  0.11398094  0.44859866  0.57953082  1
  H  H5  1  0.38543940  0.54914095  0.08030169  1
  H  H6  1  0.88404607  0.54987254  0.41940197  1
  H  H7  1  0.61138526  0.44931888  0.91981277  1
  H  H8  1  0.18696708  0.64921404  0.45980214  1
  H  H9  1  0.31220262  0.35046103  0.96111387  1
  H  H10  1  0.81126012  0.34990962  0.53965601  1
  H  H11  1  0.68599185  0.64883448  0.03956713  1
  H  H12  1  0.38823278  0.65448254  0.30358935  1
  H  H13  1  0.11198560  0.34615443  0.80392869  1
  H  H14  1  0.61192886  0.34579345  0.69623431  1
  H  H15  1  0.88796343  0.65338764  0.19546086  1
  H  H16  1  0.50363511  0.45123954  0.27822793  1
  H  H17  1  0.99819840  0.55058802  0.77839982  1
  H  H18  1  0.49747320  0.55005852  0.72191404  1
  H  H19  1  0.00280306  0.44996473  0.22021524  1
  H  H20  1  0.52888722  0.23175046  0.34420426  1
  H  H21  1  0.97590147  0.77243323  0.84572120  1
  H  H22  1  0.47222040  0.76848952  0.65535332  1
  H  H23  1  0.02450528  0.22842046  0.15379211  1
  H  H24  1  0.50279929  0.00524322  0.37689341  1
  H  H25  1  1.00076383  0.99229188  0.87788144  1
  H  H26  1  0.49803450  0.99528098  0.62198395  1
  H  H27  1  -0.00130263  0.00558207  0.12293854  1
  H  H28  1  0.33211871  0.90315869  0.45626840  1
  H  H29  1  0.16731712  0.09799160  0.95736186  1
  H  H30  1  0.66877197  0.09667707  0.54227109  1
  H  H31  1  0.83157392  0.90108361  0.04250308  1
  C  C32  1  0.19456288  0.44880668  0.50997187  1
  C  C33  1  0.30515054  0.55083322  0.01082051  1
  C  C34  1  0.80421940  0.55033404  0.48921568  1
  C  C35  1  0.69115306  0.44794040  0.98961956  1
  C  C36  1  0.23916871  0.56346292  0.44326309  1
  C  C37  1  0.26066412  0.43637516  0.94380810  1
  C  C38  1  0.75973508  0.43600093  0.55630654  1
  C  C39  1  0.73738829  0.56264699  0.05612773  1
  C  C40  1  0.35076534  0.56666695  0.35734956  1
  C  C41  1  0.14961089  0.43388958  0.85776354  1
  C  C42  1  0.64902757  0.43359463  0.64255049  1
  C  C43  1  0.84953384  0.56540299  0.14180387  1
  C  C44  1  0.41585636  0.45574340  0.34283750  1
  C  C45  1  0.08544560  0.54524157  0.84309790  1
  C  C46  1  0.58454377  0.54482545  0.65708602  1
  C  C47  1  0.91382521  0.45415870  0.15625227  1
  C  C48  1  0.36292048  0.34211447  0.41192534  1
  C  C49  1  0.13877532  0.65869707  0.91263836  1
  C  C50  1  0.63742473  0.65798670  0.58750472  1
  C  C51  1  0.85884718  0.33987250  0.08760031  1
  C  C52  1  0.42544888  0.22398341  0.40210842  1
  C  C53  1  0.07821724  0.77768129  0.90370291  1
  C  C54  1  0.57528521  0.77641646  0.59717322  1
  C  C55  1  0.92117581  0.22206356  0.09620944  1
  C  C56  1  0.43646831  -0.00076306  0.45394915  1
  C  C57  1  0.06550791  1.00048272  0.95562625  1
  C  C58  1  0.56418410  1.00074884  0.54490969  1
  C  C59  1  0.93479952  -0.00211910  0.04502279  1
  N  N60  1  0.24796398  0.33593431  0.49321201  1
  N  N61  1  0.25225220  0.66371991  0.99444660  1
  N  N62  1  0.75160360  0.66350332  0.50595062  1
  N  N63  1  0.74207821  0.33392529  0.00701700  1
  N  N64  1  0.35957919  0.11410079  0.45891305  1
  N  N65  1  0.14454226  0.88670644  0.96211300  1
  N  N66  1  0.64080611  0.88572100  0.53987718  1
  N  N67  1  0.85632568  0.11203094  0.03778937  1
  N  N68  1  0.03256609  0.91535509  0.57293402  1
  N  N69  1  0.48119078  0.08704365  0.07022351  1
  N  N70  1  0.96744589  0.08482031  0.42578494  1
  N  N71  1  0.53305224  0.92258177  0.93333745  1
  N  N72  1  0.09204358  0.83088143  0.61408860  1
  N  N73  1  0.41703390  0.17017635  0.11105811  1
  N  N74  1  0.90749581  0.16911194  0.38486837  1
  N  N75  1  0.58927370  0.83637416  0.88986367  1
  N  N76  1  0.15326643  0.74900403  0.64875865  1
  N  N77  1  0.34785226  0.24531113  0.14748981  1
  N  N78  1  0.84610561  0.25098314  0.35037916  1
  N  N79  1  0.64597848  0.75332421  0.85382657  1
  N  N80  1  0.95554987  0.19584514  0.65649396  1
  N  N81  1  0.52817718  0.80070693  0.14804707  1
  N  N82  1  0.04299010  0.80263660  0.34216672  1
  N  N83  1  0.47837955  0.19649553  0.85306413  1
  N  N84  1  0.86784817  0.15806584  0.73141689  1
  N  N85  1  0.61986282  0.84207553  0.22201420  1
  N  N86  1  0.13208265  0.84196023  0.26756711  1
  N  N87  1  0.38307450  0.15751720  0.77964394  1
  N  N88  1  0.77835024  0.12638372  0.80744798  1
  N  N89  1  0.71770723  0.88110447  0.29240500  1
  N  N90  1  0.22816233  0.88061848  0.19557120  1
  N  N91  1  0.28560748  0.12304421  0.70898217  1
