data_[Fe4H8C8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9775]
_cell_length_b [5.4206]
_cell_length_c [9.3588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeH2(CO2)2]
_chemical_formula_sum '[Fe4 H8 C8 O16]'
_cell_volume [451.7260]
_cell_formula_units_Z [4]
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  4  0.0000  0.1675  0.2500  1
  H  H1  8  0.1561  0.1683  0.2491  1
  C  C2  8  0.0509  0.3329  0.8519  1
  O  O3  8  0.0874  0.1240  0.9272  1
  O  O4  8  0.0891  0.4581  0.4266  1
]