# generated using pymatgen
data_FeH8(C3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88967677
_cell_length_b   8.93783712
_cell_length_c   8.93784014
_cell_angle_alpha   81.38755962
_cell_angle_beta   76.37253128
_cell_angle_gamma   76.37245358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH8(C3O2)2
_chemical_formula_sum   'Fe2 H16 C12 O8'
_cell_volume   367.08717532
_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  0.25000035  0.07214548  0.92785405  1
  Fe  Fe1  1  0.75000011  0.92785383  0.07214613  1
  H  H2  1  0.25940595  0.98354167  0.57165633  1
  H  H3  1  0.24059421  0.42834358  0.01645847  1
  H  H4  1  0.74059503  0.01645858  0.42834351  1
  H  H5  1  0.75940635  0.57165547  0.98354150  1
  H  H6  1  0.83077165  0.27549836  0.48185809  1
  H  H7  1  0.66922796  0.51814268  0.72450248  1
  H  H8  1  0.16922812  0.72450220  0.51814300  1
  H  H9  1  0.33077320  0.48185706  0.27549784  1
  H  H10  1  0.19605565  0.22037239  0.38476193  1
  H  H11  1  0.30394388  0.61523855  0.77962828  1
  H  H12  1  0.80394442  0.77962812  0.61523800  1
  H  H13  1  0.69605702  0.38476114  0.22037259  1
  H  H14  1  0.11234309  0.26697560  0.57965863  1
  H  H15  1  0.38765681  0.42034219  0.73302391  1
  H  H16  1  0.88765819  0.73302379  0.42034166  1
  H  H17  1  0.61234354  0.57965830  0.26697566  1
  C  C18  1  0.84406799  0.02818868  0.71660129  1
  C  C19  1  0.65593091  0.28339862  0.97181086  1
  C  C20  1  0.15593214  0.97181135  0.28339934  1
  C  C21  1  0.34406870  0.71660067  0.02818947  1
  C  C22  1  0.04192927  0.04287098  0.55657209  1
  C  C23  1  0.45807018  0.44342833  0.95712896  1
  C  C24  1  0.95807100  0.95712897  0.44342867  1
  C  C25  1  0.54193004  0.55657107  0.04287117  1
  C  C26  1  0.04545700  0.21167886  0.49657458  1
  C  C27  1  0.45454265  0.50342573  0.78832157  1
  C  C28  1  0.95454321  0.78832134  0.50342551  1
  C  C29  1  0.54545835  0.49657396  0.21167869  1
  O  O30  1  0.96416210  0.96964285  0.83223778  1
  O  O31  1  0.53583746  0.16776202  0.03035610  1
  O  O32  1  0.03583839  0.03035610  0.16776262  1
  O  O33  1  0.46416240  0.83223728  0.96964410  1
  O  O34  1  0.57598712  0.07630246  0.72700662  1
  O  O35  1  0.92401176  0.27299231  0.92369731  1
  O  O36  1  0.42401328  0.92369846  0.27299327  1
  O  O37  1  0.07598776  0.72700687  0.07630322  1
