# generated using pymatgen
data_CrH6(C2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79784586
_cell_length_b   7.86783640
_cell_length_c   7.84177151
_cell_angle_alpha   121.25021509
_cell_angle_beta   100.29017613
_cell_angle_gamma   100.45332071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH6(C2O3)2
_chemical_formula_sum   'Cr2 H12 C8 O12'
_cell_volume   333.53543436
_cell_formula_units_Z   2
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  0.47999190  0.13833900  0.84964671  1
  Cr  Cr1  1  0.98154031  0.85076989  0.14107425  1
  H  H2  1  0.49487644  0.51492649  0.03346141  1
  H  H3  1  -0.00020050  0.03929042  0.51838830  1
  H  H4  1  0.24973098  0.43471649  0.97523941  1
  H  H5  1  0.75494042  0.98214044  0.43802870  1
  H  H6  1  0.85312113  0.43587534  0.14652416  1
  H  H7  1  0.35463507  0.14584221  0.43474585  1
  H  H8  1  0.81959259  0.20218148  0.09390731  1
  H  H9  1  0.31870363  0.09512722  0.20122525  1
  H  H10  1  0.28433212  0.47618748  0.65715018  1
  H  H11  1  0.78773865  0.65971657  0.47888370  1
  H  H12  1  0.22705373  0.47075388  0.33887904  1
  H  H13  1  0.73363229  0.34094409  0.47075317  1
  C  C14  1  0.26307174  0.77580781  0.87065141  1
  C  C15  1  0.76139455  0.86889166  0.77691692  1
  C  C16  1  0.26967854  0.61509270  0.66402503  1
  C  C17  1  0.77177031  0.66442918  0.61689910  1
  C  C18  1  0.22728984  0.60682146  0.48463636  1
  C  C19  1  0.73170925  0.48475156  0.60733149  1
  C  C20  1  0.16295256  0.75856263  0.45324338  1
  C  C21  1  0.66603904  0.45118255  0.75792767  1
  O  O22  1  0.35783722  0.97619787  0.96916843  1
  O  O23  1  0.85821264  0.96958970  0.97758332  1
  O  O24  1  0.16012370  0.70850419  0.95930622  1
  O  O25  1  0.65504910  0.95396613  0.70781450  1
  O  O26  1  0.20583616  0.95666728  0.59896186  1
  O  O27  1  0.70434810  0.59785305  0.95513500  1
  O  O28  1  0.04965390  0.68413626  0.26198234  1
  O  O29  1  0.55768612  0.25904364  0.68373924  1
  O  O30  1  0.74644796  0.30768722  0.11145702  1
  O  O31  1  0.24728025  0.11417248  0.30890799  1
  O  O32  1  0.37758857  0.40832226  0.02101251  1
  O  O33  1  0.88331202  0.02860554  0.41248337  1
