# generated using pymatgen
data_VCrH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80701524
_cell_length_b   7.88820213
_cell_length_c   7.85445173
_cell_angle_alpha   121.29146128
_cell_angle_beta   100.30697207
_cell_angle_gamma   100.36217554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH12(C2O3)4
_chemical_formula_sum   'V1 Cr1 H12 C8 O12'
_cell_volume   335.39658747
_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
  V  V0  1  0.47664101  0.14122279  0.85421849  1
  Cr  Cr1  1  0.98136820  0.84448011  0.13777526  1
  H  H2  1  0.49253517  0.52817935  0.04064264  1
  H  H3  1  -0.00210490  0.02846454  0.51067393  1
  H  H4  1  0.24808032  0.44344850  0.98118422  1
  H  H5  1  0.75402562  0.97760457  0.42578315  1
  H  H6  1  0.86513834  0.43768911  0.15394708  1
  H  H7  1  0.35225913  0.14474960  0.43454237  1
  H  H8  1  0.83076081  0.20838119  0.10377602  1
  H  H9  1  0.31381174  0.08415716  0.19606740  1
  H  H10  1  0.28241436  0.47993364  0.65836047  1
  H  H11  1  0.78922852  0.65835755  0.47448624  1
  H  H12  1  0.23167997  0.47689803  0.34394568  1
  H  H13  1  0.73952376  0.34172691  0.46877677  1
  C  C14  1  0.25058273  0.77208470  0.87066935  1
  C  C15  1  0.77276299  0.87011543  0.77848556  1
  C  C16  1  0.26030603  0.61579494  0.66354191  1
  C  C17  1  0.77617050  0.66303152  0.61295511  1
  C  C18  1  0.22127322  0.60921923  0.48587608  1
  C  C19  1  0.73617069  0.48542419  0.60410705  1
  C  C20  1  0.15403169  0.75811691  0.45139523  1
  C  C21  1  0.66647600  0.45384235  0.75512107  1
  O  O22  1  0.34772046  0.96881532  0.97261199  1
  O  O23  1  0.86597747  0.96052254  0.97900700  1
  O  O24  1  0.14451280  0.69734111  0.95245577  1
  O  O25  1  0.67766585  0.96299592  0.71602777  1
  O  O26  1  0.18237160  0.94953586  0.59683956  1
  O  O27  1  0.71224898  0.60159544  0.95387850  1
  O  O28  1  0.05866063  0.68197994  0.25436116  1
  O  O29  1  0.54874367  0.26759233  0.67940691  1
  O  O30  1  0.76002614  0.31479462  0.12737333  1
  O  O31  1  0.24278203  0.10513199  0.30546776  1
  O  O32  1  0.37816760  0.42308210  0.03090034  1
  O  O33  1  0.88495720  0.02078667  0.40242941  1
