# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11776429
_cell_length_b   10.13381029
_cell_length_c   12.55854725
_cell_angle_alpha   90.03427207
_cell_angle_beta   89.98669665
_cell_angle_gamma   106.43646898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   990.89548424
_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  0.15573684  0.13057966  0.55240059  1
  Co  Co1  1  0.34157036  0.86719856  0.06031369  1
  Ni  Ni2  1  0.83991758  0.86671447  0.44314383  1
  Mn  Mn3  1  0.65669132  0.13127866  0.94720648  1
  H  H4  1  0.11395829  0.44920123  0.57871076  1
  H  H5  1  0.38538414  0.54936596  0.07979112  1
  H  H6  1  0.88539325  0.55012974  0.41978240  1
  H  H7  1  0.61411518  0.44948932  0.92182922  1
  H  H8  1  0.18728836  0.65016742  0.45899322  1
  H  H9  1  0.31133085  0.34987936  0.96043600  1
  H  H10  1  0.81189790  0.35093695  0.53870431  1
  H  H11  1  0.68789074  0.65046114  0.04144271  1
  H  H12  1  0.38992035  0.65506224  0.30350346  1
  H  H13  1  0.11111060  0.34661693  0.80349185  1
  H  H14  1  0.61233697  0.34742016  0.69603396  1
  H  H15  1  0.89035710  0.65532398  0.19709343  1
  H  H16  1  0.50454528  0.45155172  0.27818395  1
  H  H17  1  0.99715617  0.55091348  0.77836489  1
  H  H18  1  0.49798798  0.55151598  0.72127893  1
  H  H19  1  0.00520973  0.45187936  0.22199206  1
  H  H20  1  0.52771028  0.23211351  0.34298624  1
  H  H21  1  0.97545276  0.76956898  0.84431425  1
  H  H22  1  0.47403365  0.76950875  0.65546281  1
  H  H23  1  0.02719661  0.23208181  0.15748758  1
  H  H24  1  0.50363881  0.00594391  0.37612978  1
  H  H25  1  0.99905724  0.99344848  0.87827404  1
  H  H26  1  0.49853658  0.99344233  0.62161222  1
  H  H27  1  0.00321846  0.00602684  0.12371175  1
  H  H28  1  0.33394523  0.90395300  0.45522867  1
  H  H29  1  0.16854006  0.09632569  0.95753466  1
  H  H30  1  0.66842938  0.09671124  0.54238742  1
  H  H31  1  0.83339878  0.90419517  0.04446946  1
  C  C32  1  0.19504312  0.44942482  0.50937332  1
  C  C33  1  0.30409605  0.55070993  0.01080304  1
  C  C34  1  0.80382558  0.55186391  0.48856628  1
  C  C35  1  0.69536377  0.44968117  0.99105167  1
  C  C36  1  0.23967107  0.56432531  0.44277932  1
  C  C37  1  0.25977507  0.43603549  0.94372890  1
  C  C38  1  0.76021233  0.43705730  0.55553877  1
  C  C39  1  0.74023947  0.56464622  0.05768040  1
  C  C40  1  0.35171282  0.56723047  0.35723344  1
  C  C41  1  0.14861258  0.43386637  0.85782306  1
  C  C42  1  0.64935911  0.43453726  0.64164325  1
  C  C43  1  0.85243466  0.56761592  0.14310793  1
  C  C44  1  0.41669682  0.45620362  0.34273282  1
  C  C45  1  0.08407767  0.54511483  0.84311487  1
  C  C46  1  0.58462542  0.54563956  0.65631761  1
  C  C47  1  0.91728653  0.45654120  0.15752369  1
  C  C48  1  0.36347873  0.34245674  0.41179084  1
  C  C49  1  0.13722650  0.65829128  0.91286422  1
  C  C50  1  0.63677982  0.65870674  0.58643077  1
  C  C51  1  0.86372058  0.34269244  0.08849649  1
  C  C52  1  0.42543996  0.22381871  0.40193880  1
  C  C53  1  0.07663955  0.77790478  0.90363788  1
  C  C54  1  0.57565342  0.77803425  0.59641081  1
  C  C55  1  0.92533339  0.22391680  0.09831575  1
  C  C56  1  0.43737555  0.00043112  0.45319414  1
  C  C57  1  0.06502187  1.00002172  0.95556232  1
  C  C58  1  0.56501915  1.00037434  0.54450160  1
  C  C59  1  0.93714428  0.00047501  0.04663249  1
  N  N60  1  0.24840656  0.33655288  0.49279777  1
  N  N61  1  0.24880952  0.66224929  0.99496125  1
  N  N62  1  0.74814911  0.66339251  0.50394968  1
  N  N63  1  0.74876775  0.33688387  0.00752381  1
  N  N64  1  0.36013023  0.11502812  0.45983074  1
  N  N65  1  0.14172969  0.88528718  0.96243909  1
  N  N66  1  0.64182077  0.88568032  0.53839153  1
  N  N67  1  0.86044157  0.11537728  0.04005671  1
  N  N68  1  0.02715550  0.91442346  0.57310061  1
  N  N69  1  0.47229836  0.08291272  0.07564609  1
  N  N70  1  0.96845682  0.08087656  0.42349122  1
  N  N71  1  0.52493431  0.91460220  0.92967206  1
  N  N72  1  0.08607329  0.82801140  0.61128611  1
  N  N73  1  0.40623642  0.16475148  0.11468410  1
  N  N74  1  0.90537979  0.16467180  0.38480326  1
  N  N75  1  0.58329135  0.82773522  0.89132762  1
  N  N76  1  0.14976399  0.74759936  0.64619079  1
  N  N77  1  0.34680635  0.24883181  0.14768207  1
  N  N78  1  0.84701494  0.24957705  0.35236411  1
  N  N79  1  0.64750705  0.74848688  0.85480010  1
  N  N80  1  0.96950659  0.19843383  0.64969140  1
  N  N81  1  0.52908774  0.80093481  0.15325498  1
  N  N82  1  0.03511255  0.79879041  0.34501583  1
  N  N83  1  0.47014961  0.19901633  0.85022198  1
  N  N84  1  0.87668396  0.15881450  0.72339853  1
  N  N85  1  0.62168980  0.84034233  0.22725885  1
  N  N86  1  0.12558459  0.84043628  0.27086822  1
  N  N87  1  0.37745509  0.15935298  0.77637951  1
  N  N88  1  0.77926853  0.11616369  0.79340190  1
  N  N89  1  0.72314664  0.88304084  0.29550049  1
  N  N90  1  0.22490838  0.88794744  0.20232777  1
  N  N91  1  0.27941846  0.11718813  0.70660440  1
