# generated using pymatgen
data_MnH4C6(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14019758
_cell_length_b   6.14007979
_cell_length_c   14.18912423
_cell_angle_alpha   102.41410658
_cell_angle_beta   102.41288633
_cell_angle_gamma   90.04481159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH4C6(N3O2)2
_chemical_formula_sum   'Mn2 H8 C12 N12 O8'
_cell_volume   509.60879391
_cell_formula_units_Z   2
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  0.12468939  0.87530491  0.24999826  1
  Mn  Mn1  1  0.87530904  0.12469485  0.75000143  1
  H  H2  1  0.29198948  0.75938315  0.01924834  1
  H  H3  1  0.76116972  0.72916091  0.51952954  1
  H  H4  1  0.72913025  0.76120344  0.01951597  1
  H  H5  1  0.75937172  0.29200393  0.51924398  1
  H  H6  1  0.70799213  0.24063899  0.98075460  1
  H  H7  1  0.24061380  0.70801144  0.48075367  1
  H  H8  1  0.27084225  0.23881822  0.98047412  1
  H  H9  1  0.23880177  0.27086334  0.48047979  1
  C  C10  1  0.61626752  0.86673863  0.23338138  1
  C  C11  1  0.86674962  0.61626065  0.73338571  1
  C  C12  1  0.38373838  0.13325021  0.76661498  1
  C  C13  1  0.13326364  0.38373351  0.26661775  1
  C  C14  1  0.42958444  0.79166993  0.08308204  1
  C  C15  1  0.79218655  0.65458455  0.58323967  1
  C  C16  1  0.65456549  0.79218940  0.08323294  1
  C  C17  1  0.79166899  0.42958929  0.58307988  1
  C  C18  1  0.57040190  0.20833453  0.91691631  1
  C  C19  1  0.20832965  0.57042245  0.41692170  1
  C  C20  1  0.34541923  0.20781173  0.91676138  1
  C  C21  1  0.20781258  0.34542775  0.41676618  1
  N  N22  1  0.66750159  0.91850080  0.33724857  1
  N  N23  1  0.91850337  0.66747855  0.83725198  1
  N  N24  1  0.33251901  0.08149269  0.66274792  1
  N  N25  1  0.08150370  0.33250102  0.16275126  1
  N  N26  1  0.40481350  0.83908122  0.17833896  1
  N  N27  1  0.83977692  0.77347988  0.67859060  1
  N  N28  1  0.77347114  0.83976829  0.17857896  1
  N  N29  1  0.83909048  0.40480825  0.67833613  1
  N  N30  1  0.59518560  0.16091465  0.82166371  1
  N  N31  1  0.16091755  0.59519175  0.32166183  1
  N  N32  1  0.22652274  0.16021908  0.82141197  1
  N  N33  1  0.16023602  0.22652350  0.32141757  1
  O  O34  1  0.86976982  0.94004328  0.38146256  1
  O  O35  1  0.94084779  0.50868265  0.88117335  1
  O  O36  1  0.50872790  0.94084757  0.38117908  1
  O  O37  1  0.94003261  0.86974153  0.88147570  1
  O  O38  1  0.13025871  0.05996143  0.61852732  1
  O  O39  1  0.05996624  0.13023288  0.11853346  1
  O  O40  1  0.49130826  0.05914570  0.61882441  1
  O  O41  1  0.05915495  0.49128459  0.11882384  1
