# generated using pymatgen
data_CrH16(C3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71845226
_cell_length_b   9.70501214
_cell_length_c   11.79913745
_cell_angle_alpha   89.99993597
_cell_angle_beta   98.70286733
_cell_angle_gamma   89.99996073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH16(C3O4)2
_chemical_formula_sum   'Cr2 H32 C12 O16'
_cell_volume   534.09261177
_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  -0.00000016  0.49999944  0.49999896  1
  Cr  Cr1  1  -0.00000002  0.99999964  0.99999929  1
  H  H2  1  0.13128431  0.29858859  0.37200790  1
  H  H3  1  0.13128520  0.20141002  0.87200766  1
  H  H4  1  0.86871432  0.70141025  0.62799031  1
  H  H5  1  0.86871404  0.79858893  0.12799110  1
  H  H6  1  0.41106987  0.31707524  0.47308274  1
  H  H7  1  0.41106967  0.18292370  0.97308278  1
  H  H8  1  0.58892978  0.68292312  0.52691555  1
  H  H9  1  0.58892982  0.81707534  0.02691581  1
  H  H10  1  0.57104249  0.42775862  0.62869948  1
  H  H11  1  0.57104222  0.07224007  0.12869939  1
  H  H12  1  0.42895681  0.57223979  0.37129826  1
  H  H13  1  0.42895646  0.92775962  0.87129848  1
  H  H14  1  0.79892701  0.30395902  0.65091869  1
  H  H15  1  0.79892715  0.19603910  0.15091931  1
  H  H16  1  0.20107259  0.69603959  0.34907893  1
  H  H17  1  0.20107377  0.80395962  0.84907903  1
  H  H18  1  0.35475760  0.34491024  0.14077742  1
  H  H19  1  0.35475871  0.15508922  0.64077796  1
  H  H20  1  0.64524237  0.65508875  0.85922041  1
  H  H21  1  0.64524128  0.84491092  0.35922061  1
  H  H22  1  0.34628262  0.52018583  0.17721420  1
  H  H23  1  0.34628282  0.97981341  0.67721470  1
  H  H24  1  0.65371671  0.47981241  0.82278500  1
  H  H25  1  0.65371368  0.02018729  0.32278472  1
  H  H26  1  0.73715570  0.38996853  0.01952874  1
  H  H27  1  0.73715475  0.11002994  0.51952864  1
  H  H28  1  0.26284596  0.61003207  0.98047050  1
  H  H29  1  0.26284388  0.88996796  0.48047039  1
  H  H30  1  0.77345167  0.56118612  0.06820376  1
  H  H31  1  0.77344955  0.93881218  0.56820343  1
  H  H32  1  0.22654884  0.43881401  0.93179659  1
  H  H33  1  0.22654722  0.06118612  0.43179650  1
  C  C34  1  0.71277941  0.40791316  0.25802729  1
  C  C35  1  0.71278010  0.09208536  0.75802728  1
  C  C36  1  0.28722382  0.59208470  0.74197173  1
  C  C37  1  0.28721908  0.90791392  0.24197157  1
  C  C38  1  0.48833192  0.43800840  0.15544330  1
  C  C39  1  0.48833208  0.06199031  0.65544326  1
  C  C40  1  0.51166774  0.56199022  0.84455584  1
  C  C41  1  0.51166600  0.93800919  0.34455557  1
  C  C42  1  0.61708129  0.47720362  0.04815743  1
  C  C43  1  0.61708021  0.02279521  0.54815722  1
  C  C44  1  0.38292008  0.52279604  0.95184195  1
  C  C45  1  0.38291749  0.97720322  0.45184181  1
  O  O46  1  0.20109424  0.30917414  0.45611858  1
  O  O47  1  0.20109400  0.19082481  0.95611861  1
  O  O48  1  0.79890688  0.69082388  0.54388013  1
  O  O49  1  0.79890542  0.80917376  0.04388018  1
  O  O50  1  0.71292038  0.37293918  0.59229960  1
  O  O51  1  0.71292069  0.12705954  0.09230009  1
  O  O52  1  0.28707902  0.62705925  0.40769796  1
  O  O53  1  0.28707844  0.87293943  0.90769784  1
  O  O54  1  0.70868861  0.47998718  0.34969660  1
  O  O55  1  0.70868858  0.02001168  0.84969679  1
  O  O56  1  0.29131291  0.52001091  0.65030131  1
  O  O57  1  0.29131116  0.97998699  0.15030160  1
  O  O58  1  0.89899136  0.31506518  0.25036616  1
  O  O59  1  0.89899302  0.18493340  0.75036591  1
  O  O60  1  0.10100335  0.68493605  0.74963218  1
  O  O61  1  0.10100641  0.81506613  0.24963297  1
