# generated using pymatgen
data_FeH8(C3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70954031
_cell_length_b   9.01777790
_cell_length_c   9.01777270
_cell_angle_alpha   82.98654489
_cell_angle_beta   76.40305716
_cell_angle_gamma   76.40302789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH8(C3O2)2
_chemical_formula_sum   'Fe2 H16 C12 O8'
_cell_volume   360.90812733
_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
  Fe  Fe0  1  0.25000023  0.06865377  0.93134626  1
  Fe  Fe1  1  0.74999965  0.93134708  0.06865354  1
  H  H2  1  0.67582619  0.51709790  0.72786987  1
  H  H3  1  0.82417173  0.27212948  0.48290262  1
  H  H4  1  0.32417319  0.48290265  0.27212970  1
  H  H5  1  0.17582579  0.72787049  0.51709784  1
  H  H6  1  0.29667191  0.61356790  0.78733175  1
  H  H7  1  0.20332706  0.21266842  0.38643196  1
  H  H8  1  0.70332865  0.38643247  0.21266805  1
  H  H9  1  0.79667045  0.78733183  0.61356743  1
  H  H10  1  0.38127491  0.42217496  0.73303395  1
  H  H11  1  0.11872286  0.26696570  0.57782525  1
  H  H12  1  0.61872424  0.57782546  0.26696504  1
  H  H13  1  0.88127578  0.73303483  0.42217394  1
  H  H14  1  0.23170746  0.42840453  0.01468955  1
  H  H15  1  0.26829167  0.98531047  0.57159569  1
  H  H16  1  0.76829195  0.57159609  0.98530965  1
  H  H17  1  0.73170725  0.01469017  0.42840400  1
  C  C18  1  0.66012355  0.28518799  0.97020605  1
  C  C19  1  0.83986370  0.02979696  0.71481015  1
  C  C20  1  0.33987977  0.71481223  0.02979366  1
  C  C21  1  0.16012489  0.97020590  0.28518789  1
  C  C22  1  0.45323212  0.50250309  0.79087980  1
  C  C23  1  0.04676590  0.20912066  0.49749777  1
  C  C24  1  0.54676774  0.49749810  0.20911994  1
  C  C25  1  0.95323266  0.79088017  0.50250203  1
  C  C26  1  0.45701707  0.44344611  0.95648552  1
  C  C27  1  0.04298264  0.04351479  0.55655395  1
  C  C28  1  0.54298208  0.55655413  0.04351397  1
  C  C29  1  0.95701761  0.95648556  0.44344568  1
  O  O30  1  0.53669235  0.17239621  0.03100110  1
  O  O31  1  0.96330838  0.96899827  0.82760598  1
  O  O32  1  0.46330775  0.82760458  0.96899927  1
  O  O33  1  0.03669172  0.03100101  0.17239526  1
  O  O34  1  0.93847616  0.27392957  0.92118851  1
  O  O35  1  0.56153056  0.07881057  0.72606987  1
  O  O36  1  0.06151835  0.72607196  0.07881266  1
  O  O37  1  0.43847630  0.92118949  0.27392911  1
