# generated using pymatgen
data_MnFeH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81775941
_cell_length_b   7.90012884
_cell_length_c   7.87000840
_cell_angle_alpha   121.29482267
_cell_angle_beta   100.27314647
_cell_angle_gamma   100.41251063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH12(C2O3)4
_chemical_formula_sum   'Mn1 Fe1 H12 C8 O12'
_cell_volume   337.04401029
_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  0.47567626  0.14375065  0.85766611  1
  Fe  Fe1  1  0.97648475  0.85313682  0.14116424  1
  H  H2  1  0.49025264  0.52438942  0.03652393  1
  H  H3  1  -0.00321788  0.03685548  0.51956904  1
  H  H4  1  0.24738582  0.45161350  0.98321309  1
  H  H5  1  0.75460765  0.98763089  0.44731086  1
  H  H6  1  0.86639454  0.43796058  0.15662700  1
  H  H7  1  0.36065322  0.15239130  0.43613480  1
  H  H8  1  0.82758828  0.20386992  0.09720531  1
  H  H9  1  0.31833875  0.09205999  0.20126238  1
  H  H10  1  0.28490206  0.47300025  0.65258146  1
  H  H11  1  0.78921376  0.65426837  0.47309400  1
  H  H12  1  0.23304024  0.47279324  0.34155185  1
  H  H13  1  0.74163173  0.34421698  0.47189535  1
  C  C14  1  0.26084788  0.76696982  0.87161124  1
  C  C15  1  0.76635089  0.87084059  0.77058257  1
  C  C16  1  0.26549337  0.60989388  0.65962684  1
  C  C17  1  0.77231532  0.66077109  0.61098831  1
  C  C18  1  0.22506668  0.60484809  0.48525685  1
  C  C19  1  0.73490016  0.48690171  0.60549310  1
  C  C20  1  0.15319675  0.75406308  0.44961085  1
  C  C21  1  0.66035323  0.44964000  0.75344595  1
  O  O22  1  0.35382101  0.96364948  0.96721846  1
  O  O23  1  0.85590378  0.96290995  0.96850562  1
  O  O24  1  0.16281438  0.69216364  0.95403087  1
  O  O25  1  0.67106089  0.95520443  0.69761483  1
  O  O26  1  0.18887342  0.94513617  0.59696403  1
  O  O27  1  0.69508663  0.59540182  0.94584153  1
  O  O28  1  0.04919946  0.67639206  0.25804875  1
  O  O29  1  0.55262272  0.25920941  0.67257082  1
  O  O30  1  0.76069634  0.31494406  0.13028469  1
  O  O31  1  0.25143412  0.12248708  0.31298456  1
  O  O32  1  0.37310190  0.42445892  0.03102351  1
  O  O33  1  0.88087955  0.03327348  0.41958779  1
