# generated using pymatgen
data_Mn2CrCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11787075
_cell_length_b   10.13581551
_cell_length_c   12.55710427
_cell_angle_alpha   90.03502234
_cell_angle_beta   89.99266136
_cell_angle_gamma   106.44350834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Co1 H28 C28 N32'
_cell_volume   990.95474524
_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
  Cr  Cr0  1  0.15290364  0.12853822  0.55621771  1
  Mn  Mn1  1  0.34098455  0.86676768  0.05195631  1
  Mn  Mn2  1  0.83929976  0.86654734  0.44548562  1
  Co  Co3  1  0.64807994  0.12382181  0.94985567  1
  H  H4  1  0.11244996  0.45005538  0.58129561  1
  H  H5  1  0.38459054  0.55043221  0.08050200  1
  H  H6  1  0.88392640  0.54998595  0.41925820  1
  H  H7  1  0.61260974  0.44932856  0.92017268  1
  H  H8  1  0.18526419  0.64794734  0.46057100  1
  H  H9  1  0.31114524  0.34987471  0.96032737  1
  H  H10  1  0.81180652  0.34986583  0.53975001  1
  H  H11  1  0.68635302  0.64824672  0.03921438  1
  H  H12  1  0.38698859  0.65194397  0.30474401  1
  H  H13  1  0.11058451  0.34523478  0.80448865  1
  H  H14  1  0.61189056  0.34546544  0.69603976  1
  H  H15  1  0.88872088  0.65358786  0.19510540  1
  H  H16  1  0.50017153  0.44790170  0.27923682  1
  H  H17  1  0.99745510  0.54994921  0.77828000  1
  H  H18  1  0.49856736  0.55012963  0.72238223  1
  H  H19  1  0.00242359  0.44910048  0.22074191  1
  H  H20  1  0.52495867  0.22862672  0.34652622  1
  H  H21  1  0.97182022  0.76797842  0.84585947  1
  H  H22  1  0.47321466  0.76800466  0.65537476  1
  H  H23  1  0.02701301  0.23115918  0.15287422  1
  H  H24  1  0.49856754  0.00320435  0.37757490  1
  H  H25  1  1.00134778  0.99764864  0.87743873  1
  H  H26  1  0.50027035  0.99697183  0.62265192  1
  H  H27  1  -0.00207017  0.00379512  0.12247596  1
  H  H28  1  0.33133336  0.89985366  0.45839233  1
  H  H29  1  0.16930653  0.09777137  0.95943824  1
  H  H30  1  0.66772533  0.09716439  0.54079211  1
  H  H31  1  0.83047584  0.90193183  0.04032401  1
  C  C32  1  0.19363211  0.44833594  0.51221440  1
  C  C33  1  0.30548756  0.55089319  0.01037074  1
  C  C34  1  0.80497230  0.55046804  0.48948752  1
  C  C35  1  0.69313551  0.44733065  0.98939399  1
  C  C36  1  0.23777292  0.56215941  0.44473632  1
  C  C37  1  0.26015392  0.43624480  0.94359505  1
  C  C38  1  0.76056351  0.43608679  0.55653354  1
  C  C39  1  0.73824652  0.56238590  0.05595376  1
  C  C40  1  0.34915530  0.56444093  0.35876025  1
  C  C41  1  0.14891149  0.43363404  0.85761730  1
  C  C42  1  0.64983971  0.43371923  0.64275797  1
  C  C43  1  0.85003763  0.56540047  0.14168965  1
  C  C44  1  0.41359787  0.45309819  0.34437933  1
  C  C45  1  0.08511963  0.54515569  0.84286287  1
  C  C46  1  0.58597311  0.54526322  0.65764157  1
  C  C47  1  0.91456556  0.45419272  0.15630284  1
  C  C48  1  0.36109248  0.34004972  0.41430470  1
  C  C49  1  0.13895935  0.65883403  0.91200338  1
  C  C50  1  0.63908865  0.65856795  0.58815082  1
  C  C51  1  0.86071934  0.34058772  0.08680136  1
  C  C52  1  0.42154622  0.22077477  0.40449860  1
  C  C53  1  0.07632978  0.77711458  0.90317033  1
  C  C54  1  0.57656468  0.77693043  0.59724768  1
  C  C55  1  0.92263956  0.22154077  0.09564139  1
  C  C56  1  0.43352449  -0.00283991  0.45513234  1
  C  C57  1  0.06517186  1.00170565  0.95516916  1
  C  C58  1  0.56416673  1.00079446  0.54494795  1
  C  C59  1  0.93381001  -0.00171736  0.04462534  1
  N  N60  1  0.24864508  0.33589798  0.49692710  1
  N  N61  1  0.25423601  0.66464593  0.99280937  1
  N  N62  1  0.75345878  0.66397745  0.50692054  1
  N  N63  1  0.74683754  0.33513465  0.00576378  1
  N  N64  1  0.35364835  0.11067019  0.46109585  1
  N  N65  1  0.14231548  0.88662840  0.96027378  1
  N  N66  1  0.64170473  0.88621994  0.53982591  1
  N  N67  1  0.85503406  0.11215991  0.03930843  1
  N  N68  1  0.03453484  0.92170580  0.57807786  1
  N  N69  1  0.47274197  0.08283306  0.07291822  1
  N  N70  1  0.98277717  0.09146120  0.43072387  1
  N  N71  1  0.52912838  0.92120047  0.92354402  1
  N  N72  1  0.09660290  0.83697243  0.61706226  1
  N  N73  1  0.41533009  0.17107286  0.11027801  1
  N  N74  1  0.91842062  0.17311525  0.38908574  1
  N  N75  1  0.59714471  0.83996493  0.88530787  1
  N  N76  1  0.15449674  0.75211348  0.64904269  1
  N  N77  1  0.35102663  0.25081710  0.14562788  1
  N  N78  1  0.84893861  0.24808695  0.35220650  1
  N  N79  1  0.65738049  0.75621571  0.85274218  1
  N  N80  1  0.96833219  0.19338198  0.64854837  1
  N  N81  1  0.53058298  0.80257416  0.14910547  1
  N  N82  1  0.03179026  0.80196722  0.35143788  1
  N  N83  1  0.46118548  0.19364351  0.84788500  1
  N  N84  1  0.87857995  0.15502463  0.72452356  1
  N  N85  1  0.62093961  0.84193324  0.22390999  1
  N  N86  1  0.12088543  0.84147365  0.27606026  1
  N  N87  1  0.37721925  0.15895137  0.77065604  1
  N  N88  1  0.78340947  0.11809441  0.79564018  1
  N  N89  1  0.71770494  0.88317973  0.29457321  1
  N  N90  1  0.21632601  0.88340069  0.20495309  1
  N  N91  1  0.29369167  0.13551097  0.69183958  1
