# generated using pymatgen
data_MnVH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41813978
_cell_length_b   9.53334386
_cell_length_c   9.53720355
_cell_angle_alpha   81.80214946
_cell_angle_beta   75.37543903
_cell_angle_gamma   75.76807382
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH20C28(N3O2)4
_chemical_formula_sum   'Mn1 V1 H20 C28 N12 O8'
_cell_volume   800.17215008
_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
  V  V0  1  0.74101919  0.95303513  0.71168409  1
  Mn  Mn1  1  0.24138703  0.71915642  0.93987089  1
  H  H2  1  0.38552476  0.01394673  0.61069992  1
  H  H3  1  0.89099468  0.60907213  0.02464037  1
  H  H4  1  0.59824099  0.48679692  0.77853241  1
  H  H5  1  0.10340248  0.77077017  0.48990315  1
  H  H6  1  0.87193787  0.87736813  0.17968115  1
  H  H7  1  0.36794225  0.17456478  0.88029971  1
  H  H8  1  0.07910224  0.31141588  0.24684434  1
  H  H9  1  0.57989689  0.24454817  0.29743063  1
  H  H10  1  0.59020451  0.92404957  0.08412267  1
  H  H11  1  0.08083550  0.08459664  0.92344898  1
  H  H12  1  0.96105577  0.11447398  0.40317030  1
  H  H13  1  0.46377576  0.40835203  0.10520211  1
  H  H14  1  0.78792567  0.63037299  0.53616325  1
  H  H15  1  0.29670149  0.52610243  0.62715259  1
  H  H16  1  0.20993829  0.03094064  0.44805720  1
  H  H17  1  0.70916779  0.45394003  0.03214799  1
  H  H18  1  0.31076690  0.98455662  0.18630701  1
  H  H19  1  0.80273534  0.19250023  0.98288168  1
  H  H20  1  0.98700254  0.56821235  0.30938295  1
  H  H21  1  0.49334000  0.30037974  0.55659734  1
  C  C22  1  0.42723397  0.99409820  0.49647575  1
  C  C23  1  0.92901481  0.49548566  0.00233471  1
  C  C24  1  0.45113068  0.90511336  0.86359650  1
  C  C25  1  0.93939689  0.87019660  0.90030686  1
  C  C26  1  0.55259167  0.75296402  0.83192784  1
  C  C27  1  0.03731029  0.82740258  0.74933037  1
  C  C28  1  0.99051918  0.33767403  0.34426532  1
  C  C29  1  0.49333510  0.34203145  0.32696362  1
  C  C30  1  0.54326922  0.94266111  0.19796771  1
  C  C31  1  0.03675133  0.19800284  0.94392490  1
  C  C32  1  0.82313905  0.26299693  0.55917340  1
  C  C33  1  0.32790489  0.56020064  0.25959103  1
  C  C34  1  0.93046463  0.22635326  0.43159245  1
  C  C35  1  0.43381130  0.43331305  0.21828943  1
  C  C36  1  0.82873227  0.51927771  0.50625938  1
  C  C37  1  0.33624957  0.49911630  0.51489755  1
  C  C38  1  0.77261521  0.40672584  0.59516821  1
  C  C39  1  0.27942328  0.59112210  0.40543944  1
  C  C40  1  0.63860462  0.93221438  0.29164925  1
  C  C41  1  0.13524000  0.28767007  0.93744112  1
  C  C42  1  0.33114494  0.00366754  0.40418325  1
  C  C43  1  0.82980299  0.40740379  0.00653082  1
  C  C44  1  0.38817961  0.97821237  0.25619111  1
  C  C45  1  0.88251069  0.25981391  0.97858326  1
  C  C46  1  0.93925470  0.48267942  0.38033011  1
  C  C47  1  0.44490785  0.37389657  0.47355180  1
  C  C48  1  0.58203984  0.95828040  0.43784088  1
  C  C49  1  0.08313464  0.43289361  0.96849051  1
  N  N50  1  0.83104018  0.91723692  0.39602913  1
  N  N51  1  0.33080873  0.38678410  0.92858836  1
  N  N52  1  0.64940477  0.26387969  0.76579572  1
  N  N53  1  0.15576195  0.76473926  0.26711827  1
  N  N54  1  0.70580493  0.94608294  0.49793285  1
  N  N55  1  0.20846798  0.48751959  0.96259775  1
  N  N56  1  0.66650821  0.39871728  0.72344633  1
  N  N57  1  0.17577811  0.72075756  0.40154980  1
  N  N58  1  0.74388690  0.17914755  0.66833776  1
  N  N59  1  0.25057820  0.67251480  0.17960293  1
  N  N60  1  0.79209795  0.90507655  0.27475802  1
  N  N61  1  0.28885400  0.26672257  0.91407559  1
  O  O62  1  0.49211340  0.64444988  0.86904890  1
  O  O63  1  0.97011671  0.86653673  0.64391030  1
  O  O64  1  0.51527156  0.01214934  0.81573630  1
  O  O65  1  0.99771194  0.82983380  0.00918717  1
  O  O66  1  0.31605821  0.91631657  0.92952574  1
  O  O67  1  0.80615259  0.94347444  0.90308884  1
  O  O68  1  0.68851406  0.74992707  0.76645970  1
  O  O69  1  0.17110037  0.75887184  0.73805490  1
