# generated using pymatgen
data_CrNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79578312
_cell_length_b   7.86138002
_cell_length_c   7.84233794
_cell_angle_alpha   121.24498190
_cell_angle_beta   100.24385480
_cell_angle_gamma   100.46761237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH12(C2O3)4
_chemical_formula_sum   'Cr1 Ni1 H12 C8 O12'
_cell_volume   333.28609262
_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
  Cr  Cr0  1  0.48234579  0.13738999  0.84643353  1
  Ni  Ni1  1  0.97843378  0.85474810  0.14243105  1
  H  H2  1  0.49895064  0.51127108  0.02998130  1
  H  H3  1  -0.00154023  0.04284028  0.51722907  1
  H  H4  1  0.25208608  0.42309231  0.97114865  1
  H  H5  1  0.75333948  0.97961397  0.43138492  1
  H  H6  1  0.84765603  0.43326486  0.14035752  1
  H  H7  1  0.34896989  0.13878980  0.42952782  1
  H  H8  1  0.81844471  0.19792718  0.08787480  1
  H  H9  1  0.31630596  0.09626225  0.20343817  1
  H  H10  1  0.28373898  0.47641340  0.65830600  1
  H  H11  1  0.78396287  0.66430440  0.48470518  1
  H  H12  1  0.23128235  0.46935974  0.33816253  1
  H  H13  1  0.73742656  0.34417171  0.47843416  1
  C  C14  1  0.26494833  0.77852182  0.87096147  1
  C  C15  1  0.75561398  0.87039531  0.78223737  1
  C  C16  1  0.26602204  0.61239628  0.66076154  1
  C  C17  1  0.76437002  0.66466150  0.61966428  1
  C  C18  1  0.22879553  0.60452165  0.48323620  1
  C  C19  1  0.72956457  0.48703413  0.61173026  1
  C  C20  1  0.16411778  0.75791221  0.45073782  1
  C  C21  1  0.66791445  0.45492133  0.76588711  1
  O  O22  1  0.36126588  0.97874913  0.96224029  1
  O  O23  1  0.85632978  0.97260435  0.97905038  1
  O  O24  1  0.17249742  0.71668148  0.96578844  1
  O  O25  1  0.64653280  0.95107270  0.70818903  1
  O  O26  1  0.21505684  0.95706669  0.59964196  1
  O  O27  1  0.70174972  0.60080121  0.95857695  1
  O  O28  1  0.04750722  0.68421910  0.26474283  1
  O  O29  1  0.56740399  0.25933908  0.68948698  1
  O  O30  1  0.74394573  0.30434013  0.10734673  1
  O  O31  1  0.24556468  0.12115520  0.31134706  1
  O  O32  1  0.38339009  0.40016912  0.01501454  1
  O  O33  1  0.88297659  0.03108470  0.41103463  1
