# generated using pymatgen
data_FeNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80223397
_cell_length_b   7.87578540
_cell_length_c   7.84708589
_cell_angle_alpha   121.26573639
_cell_angle_beta   100.28185191
_cell_angle_gamma   100.44313712
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH12(C2O3)4
_chemical_formula_sum   'Fe1 Ni1 H12 C8 O12'
_cell_volume   334.29277799
_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  0.47585025  0.13930322  0.85241653  1
  Ni  Ni1  1  0.97912688  0.85438069  0.14217502  1
  H  H2  1  0.49396986  0.51690816  0.03426503  1
  H  H3  1  0.00001402  0.03727450  0.51436257  1
  H  H4  1  0.24922315  0.44092628  0.97830551  1
  H  H5  1  0.75660769  0.98203204  0.43701625  1
  H  H6  1  0.85876321  0.43703599  0.14979225  1
  H  H7  1  0.35328580  0.14471352  0.43269868  1
  H  H8  1  0.82133445  0.20415717  0.09498509  1
  H  H9  1  0.31438360  0.09180730  0.20087079  1
  H  H10  1  0.28470653  0.47682556  0.65659629  1
  H  H11  1  0.78873758  0.65865746  0.47777134  1
  H  H12  1  0.22872406  0.47233166  0.34019306  1
  H  H13  1  0.73486276  0.34068219  0.47105761  1
  C  C14  1  0.25979799  0.77285709  0.87357534  1
  C  C15  1  0.76493972  0.87085915  0.77745390  1
  C  C16  1  0.26641638  0.61379593  0.66203677  1
  C  C17  1  0.77461336  0.66262532  0.61557210  1
  C  C18  1  0.22650988  0.60688971  0.48587962  1
  C  C19  1  0.73449313  0.48619334  0.60670535  1
  C  C20  1  0.15752148  0.75727416  0.44923349  1
  C  C21  1  0.66656349  0.45237413  0.75955124  1
  O  O22  1  0.35662487  0.96970218  0.96821328  1
  O  O23  1  0.86013725  0.96676552  0.97520126  1
  O  O24  1  0.15908012  0.70123440  0.95739956  1
  O  O25  1  0.66155240  0.95165683  0.70390701  1
  O  O26  1  0.19762847  0.95035100  0.59730725  1
  O  O27  1  0.70556289  0.59975338  0.95282870  1
  O  O28  1  0.05014482  0.68007562  0.25864478  1
  O  O29  1  0.55824010  0.26171002  0.68074254  1
  O  O30  1  0.75234596  0.31375918  0.12277059  1
  O  O31  1  0.24535518  0.11799411  0.31083659  1
  O  O32  1  0.37613656  0.41484836  0.02586348  1
  O  O33  1  0.88371639  0.02934100  0.41086172  1
