# generated using pymatgen
data_MnCrH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81195398
_cell_length_b   7.89603937
_cell_length_c   7.85673271
_cell_angle_alpha   121.29126797
_cell_angle_beta   100.30830873
_cell_angle_gamma   100.35944943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH12(C2O3)4
_chemical_formula_sum   'Mn1 Cr1 H12 C8 O12'
_cell_volume   336.07527760
_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
  Mn  Mn0  1  0.47956247  0.14669576  0.85983853  1
  Cr  Cr1  1  0.97965114  0.84362398  0.13726164  1
  H  H2  1  0.48964413  0.53146569  0.04268532  1
  H  H3  1  -0.00118682  0.02522155  0.50759703  1
  H  H4  1  0.24564523  0.45504682  0.98532447  1
  H  H5  1  0.75516694  0.97522369  0.42327217  1
  H  H6  1  0.86957601  0.43682967  0.15669406  1
  H  H7  1  0.34868033  0.14354145  0.43483967  1
  H  H8  1  0.83415796  0.20709446  0.10557923  1
  H  H9  1  0.31245913  0.08130925  0.19585118  1
  H  H10  1  0.28065666  0.47792345  0.65621862  1
  H  H11  1  0.78796207  0.65585499  0.47328426  1
  H  H12  1  0.23160462  0.47788432  0.34343928  1
  H  H13  1  0.73999957  0.34186929  0.46705985  1
  C  C14  1  0.25012844  0.77093312  0.87029450  1
  C  C15  1  0.77480340  0.87066552  0.77693820  1
  C  C16  1  0.25933127  0.61410654  0.66225281  1
  C  C17  1  0.77474804  0.66110381  0.61188191  1
  C  C18  1  0.22115997  0.60918231  0.48623086  1
  C  C19  1  0.73506032  0.48432168  0.60280917  1
  C  C20  1  0.15588184  0.76145653  0.45443458  1
  C  C21  1  0.66400810  0.45038027  0.75251415  1
  O  O22  1  0.34944326  0.96683452  0.97296784  1
  O  O23  1  0.86496225  0.95888520  0.97797551  1
  O  O24  1  0.14122170  0.69618284  0.95040459  1
  O  O25  1  0.68877448  0.96616104  0.71378426  1
  O  O26  1  0.18231373  0.95098085  0.59962063  1
  O  O27  1  0.71263331  0.59670573  0.95220712  1
  O  O28  1  0.06125286  0.68576107  0.25743952  1
  O  O29  1  0.54329772  0.26581546  0.67495863  1
  O  O30  1  0.76565073  0.31589132  0.13366259  1
  O  O31  1  0.24014651  0.10309036  0.30430092  1
  O  O32  1  0.37265661  0.42929014  0.03300467  1
  O  O33  1  0.88591634  0.01976349  0.40046284  1
