# generated using pymatgen
data_CrH28C14(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14404251
_cell_length_b   8.07916088
_cell_length_c   8.74746276
_cell_angle_alpha   87.81751909
_cell_angle_beta   90.27352875
_cell_angle_gamma   76.57611159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH28C14(NO6)2
_chemical_formula_sum   'Cr1 H28 C14 N2 O12'
_cell_volume   490.68665344
_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  0.49999499  1.00000108  0.49999602  1
  H  H1  1  0.70023441  0.32631147  0.21976084  1
  H  H2  1  0.29977015  0.67368988  0.78024166  1
  H  H3  1  0.85423340  0.45764171  0.42357048  1
  H  H4  1  0.14577103  0.54235335  0.57643683  1
  H  H5  1  0.04712227  0.26925445  0.41762566  1
  H  H6  1  0.95287758  0.73073651  0.58238080  1
  H  H7  1  -0.00316295  0.04576014  0.27136916  1
  H  H8  1  1.00316006  0.95423770  0.72863366  1
  H  H9  1  0.01145243  0.12518402  0.08071382  1
  H  H10  1  0.98855475  0.87481524  0.91929014  1
  H  H11  1  0.83961608  0.55951336  0.18259847  1
  H  H12  1  0.16039005  0.44048675  0.81740940  1
  H  H13  1  0.66606409  0.45841040  0.97254011  1
  H  H14  1  0.33394239  0.54159126  0.02746660  1
  H  H15  1  0.87821938  0.31686646  0.91482092  1
  H  H16  1  0.12178713  0.68313574  0.08518458  1
  H  H17  1  0.17993245  0.42178696  0.24776910  1
  H  H18  1  0.82007463  0.57821516  0.75223708  1
  H  H19  1  0.19620179  0.29509690  0.08482377  1
  H  H20  1  0.80380569  0.70490486  0.91518243  1
  H  H21  1  0.57240605  0.90867518  0.79382115  1
  H  H22  1  0.42759396  0.09132689  0.20616964  1
  H  H23  1  0.69512814  0.04576912  0.73196438  1
  H  H24  1  0.30487130  0.95423213  0.26802248  1
  H  H25  1  0.30731434  0.20483210  0.72484175  1
  H  H26  1  0.69267501  0.79517000  0.27515074  1
  H  H27  1  0.47285451  0.28687982  0.65331355  1
  H  H28  1  0.52713652  0.71311841  0.34667776  1
  C  C29  1  0.89226555  0.32221285  0.39915968  1
  C  C30  1  0.10773547  0.67778292  0.60084494  1
  C  C31  1  0.77938103  0.22528261  0.50124321  1
  C  C32  1  0.22061238  0.77471497  0.49875547  1
  C  C33  1  0.91633545  0.12490716  0.17836590  1
  C  C34  1  0.08366752  0.87509299  0.82163563  1
  C  C35  1  0.74307645  0.05611509  0.13356909  1
  C  C36  1  0.25692585  0.94388806  0.86642814  1
  C  C37  1  0.90667481  0.43898941  0.12977205  1
  C  C38  1  0.09333223  0.56101169  0.87023395  1
  C  C39  1  0.82316589  0.43923551  0.96845728  1
  C  C40  1  0.17684046  0.56076655  0.03154868  1
  C  C41  1  0.12499684  0.41813826  0.13085037  1
  C  C42  1  0.87501011  0.58186347  0.86915575  1
  N  N43  1  0.84795985  0.30437149  0.23269353  1
  N  N44  1  0.15204473  0.69562859  0.76730965  1
  O  O45  1  0.71847161  0.10848414  0.43559625  1
  O  O46  1  0.28151731  0.89151912  0.56439743  1
  O  O47  1  0.75115227  0.26150696  0.63960036  1
  O  O48  1  0.24883821  0.73848823  0.36039898  1
  O  O49  1  0.58426644  0.16497126  0.10691428  1
  O  O50  1  0.41573732  0.83503354  0.89308245  1
  O  O51  1  0.76955901  0.89607020  0.12645171  1
  O  O52  1  0.23043897  0.10393344  0.87354336  1
  O  O53  1  0.65607787  0.94018860  0.70863447  1
  O  O54  1  0.34391968  0.05981241  0.29135451  1
  O  O55  1  0.34859379  0.25960656  0.62949866  1
  O  O56  1  0.65139519  0.74039521  0.37049347  1
