# generated using pymatgen
data_MnNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81782307
_cell_length_b   7.89493863
_cell_length_c   7.88026713
_cell_angle_alpha   121.31485757
_cell_angle_beta   100.20928397
_cell_angle_gamma   100.43679941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH12(C2O3)4
_chemical_formula_sum   'Mn1 Ni1 H12 C8 O12'
_cell_volume   337.27509735
_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
  Ni  Ni0  1  0.47720551  0.13785480  0.84789921  1
  Mn  Mn1  1  0.97735089  0.85949891  0.14608753  1
  H  H2  1  0.49280309  0.50634148  0.02860733  1
  H  H3  1  -0.00456592  0.04347022  0.53269955  1
  H  H4  1  0.25062744  0.42446780  0.97214640  1
  H  H5  1  0.75282966  0.99572411  0.46285849  1
  H  H6  1  0.84514856  0.43044514  0.14283024  1
  H  H7  1  0.37152795  0.15709136  0.43720434  1
  H  H8  1  0.80943088  0.19684911  0.08288982  1
  H  H9  1  0.33051005  0.10098337  0.20340300  1
  H  H10  1  0.28293836  0.47307038  0.65340868  1
  H  H11  1  0.78312094  0.65273821  0.47246820  1
  H  H12  1  0.24179616  0.47474306  0.34357388  1
  H  H13  1  0.74232552  0.34524342  0.47799922  1
  C  C14  1  0.27364334  0.77636286  0.87446321  1
  C  C15  1  0.75238822  0.86931858  0.76591604  1
  C  C16  1  0.27163891  0.61217749  0.66108226  1
  C  C17  1  0.76076452  0.65891872  0.60869909  1
  C  C18  1  0.23515356  0.60746873  0.48741243  1
  C  C19  1  0.72720757  0.48666480  0.60654477  1
  C  C20  1  0.16105386  0.75772959  0.45420747  1
  C  C21  1  0.65633671  0.45016109  0.75649854  1
  O  O22  1  0.36396040  0.97274240  0.96371513  1
  O  O23  1  0.85050239  0.96568705  0.96197863  1
  O  O24  1  0.18354960  0.70627355  0.96444293  1
  O  O25  1  0.65041749  0.94959854  0.69151403  1
  O  O26  1  0.20454790  0.95146797  0.60008952  1
  O  O27  1  0.68716884  0.59933919  0.94593616  1
  O  O28  1  0.04393428  0.67636480  0.26653325  1
  O  O29  1  0.55919743  0.25804467  0.68051023  1
  O  O30  1  0.73907558  0.30550018  0.11169510  1
  O  O31  1  0.26549920  0.13392558  0.31658824  1
  O  O32  1  0.37882281  0.40255528  0.02224445  1
  O  O33  1  0.87905861  0.03827372  0.43294326  1
