# generated using pymatgen
data_MnCrH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81154859
_cell_length_b   7.88048256
_cell_length_c   7.86942260
_cell_angle_alpha   121.28267559
_cell_angle_beta   100.19784672
_cell_angle_gamma   100.47272820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH12(C2O3)4
_chemical_formula_sum   'Mn1 Cr1 H12 C8 O12'
_cell_volume   335.96420470
_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  0.47941426  0.13554668  0.84266218  1
  Mn  Mn1  1  0.97827980  0.86002410  0.14616098  1
  H  H2  1  0.49611158  0.50565136  0.02277760  1
  H  H3  1  -0.00514630  0.04885776  0.53552410  1
  H  H4  1  0.25225678  0.42114283  0.96977617  1
  H  H5  1  0.75084856  0.99121302  0.45701197  1
  H  H6  1  0.84756287  0.43514621  0.14505605  1
  H  H7  1  0.36983421  0.15549233  0.43663394  1
  H  H8  1  0.81328082  0.19616131  0.08157953  1
  H  H9  1  0.33317259  0.10743099  0.20831018  1
  H  H10  1  0.28563600  0.47199044  0.65481395  1
  H  H11  1  0.78303040  0.65799705  0.47965082  1
  H  H12  1  0.23394175  0.46655334  0.33917382  1
  H  H13  1  0.73843001  0.34601533  0.47896629  1
  C  C14  1  0.27683683  0.77586971  0.87200945  1
  C  C15  1  0.74876293  0.86951358  0.77126244  1
  C  C16  1  0.27336941  0.61046858  0.66047448  1
  C  C17  1  0.75983234  0.66270424  0.61517349  1
  C  C18  1  0.23220484  0.60238018  0.48363997  1
  C  C19  1  0.72396434  0.48646410  0.60942283  1
  C  C20  1  0.16073126  0.75217822  0.45085384  1
  C  C21  1  0.65642142  0.45113966  0.75924151  1
  O  O22  1  0.36350341  0.97632379  0.95788898  1
  O  O23  1  0.84954701  0.97390381  0.96748928  1
  O  O24  1  0.19484591  0.71441428  0.97134292  1
  O  O25  1  0.63960173  0.94797301  0.69512218  1
  O  O26  1  0.21226701  0.95173836  0.59682347  1
  O  O27  1  0.67968027  0.59606240  0.94835922  1
  O  O28  1  0.03673247  0.67487720  0.26710949  1
  O  O29  1  0.56559924  0.25374909  0.68342561  1
  O  O30  1  0.73982511  0.30319336  0.10268546  1
  O  O31  1  0.26557564  0.13639811  0.31821258  1
  O  O32  1  0.38208212  0.39746920  0.01475463  1
  O  O33  1  0.87893369  0.04105257  0.43370119  1
