data_[Fe4Co4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0714]
_cell_length_b [2.6441]
_cell_length_c [4.4277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeCoH3]
_chemical_formula_sum '[Fe4 Co4 H12]'
_cell_volume [117.8176]
_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  2  0.3472  0.5000  0.2971  1
  Fe  Fe1  2  0.4561  0.0000  0.8609  1
  Co  Co2  2  0.1166  0.0000  0.2567  1
  Co  Co3  2  0.2122  0.5000  0.7794  1
  H  H4  2  0.0796  0.0000  0.8809  1
  H  H5  2  0.0913  0.5000  0.5145  1
  H  H6  2  0.2471  0.0000  0.5131  1
  H  H7  2  0.2694  0.0000  0.0279  1
  H  H8  2  0.3811  0.5000  0.6782  1
  H  H9  2  0.4658  0.0000  0.2497  1
]