# generated using pymatgen
data_MnFeH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82403076
_cell_length_b   7.90664414
_cell_length_c   7.88591842
_cell_angle_alpha   121.31489722
_cell_angle_beta   100.23045771
_cell_angle_gamma   100.42270441
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH12(C2O3)4
_chemical_formula_sum   'Mn1 Fe1 H12 C8 O12'
_cell_volume   338.30752322
_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
  Fe  Fe0  1  0.47619074  0.13998245  0.85023390  1
  Mn  Mn1  1  0.97751122  0.85744329  0.14552282  1
  H  H2  1  0.49260506  0.51617517  0.03108548  1
  H  H3  1  -0.00602953  0.04119880  0.52939874  1
  H  H4  1  0.25122265  0.44629966  0.98429319  1
  H  H5  1  0.75200699  0.99302551  0.45963220  1
  H  H6  1  0.85727951  0.43532994  0.15299245  1
  H  H7  1  0.36946202  0.15769538  0.43678138  1
  H  H8  1  0.81744696  0.19977033  0.08879846  1
  H  H9  1  0.32682785  0.09705287  0.20179125  1
  H  H10  1  0.28369026  0.46992981  0.65056358  1
  H  H11  1  0.78756321  0.65157164  0.47169829  1
  H  H12  1  0.23896836  0.47346617  0.34346898  1
  H  H13  1  0.74169424  0.34431822  0.47457846  1
  C  C14  1  0.26766417  0.76933615  0.87237410  1
  C  C15  1  0.75945757  0.86905712  0.76621866  1
  C  C16  1  0.26714637  0.60822952  0.65937165  1
  C  C17  1  0.76614405  0.65882362  0.60839122  1
  C  C18  1  0.23021284  0.60492805  0.48655776  1
  C  C19  1  0.72924129  0.48589112  0.60474507  1
  C  C20  1  0.15600243  0.75396176  0.45230180  1
  C  C21  1  0.65679606  0.45157373  0.75479896  1
  O  O22  1  0.35691598  0.96590585  0.96159953  1
  O  O23  1  0.85398209  0.96452058  0.96296936  1
  O  O24  1  0.17773733  0.69939131  0.96198474  1
  O  O25  1  0.65963189  0.95029523  0.69215746  1
  O  O26  1  0.19642759  0.94671753  0.59821391  1
  O  O27  1  0.69008423  0.59977037  0.94501573  1
  O  O28  1  0.04363411  0.67363992  0.26330841  1
  O  O29  1  0.55471517  0.26081118  0.67836902  1
  O  O30  1  0.74866652  0.30905594  0.11745275  1
  O  O31  1  0.26170794  0.12995189  0.31445209  1
  O  O32  1  0.37665500  0.41585500  0.02641889  1
  O  O33  1  0.87770819  0.03612104  0.42955028  1
