data_[Fe8Co8H8]
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 [P1]
_cell_length_a [4.1939]
_cell_length_b [4.5096]
_cell_length_c [10.3064]
_cell_angle_alpha [90.1213]
_cell_angle_beta [90.0918]
_cell_angle_gamma [90.2159]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeCoH]
_chemical_formula_sum '[Fe8 Co8 H8]'
_cell_volume [194.9229]
_cell_formula_units_Z [8]
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  0.3723  0.9478  0.0538  1
  Fe  Fe1  1  0.3823  0.4539  0.9306  1
  Fe  Fe2  1  0.3866  0.9466  0.5579  1
  Fe  Fe3  1  0.3876  0.4475  0.4331  1
  Fe  Fe4  1  0.3951  0.9409  0.8088  1
  Fe  Fe5  1  0.8854  0.1249  0.1853  1
  Fe  Fe6  1  0.8884  0.6207  0.3092  1
  Fe  Fe7  1  0.9062  0.1326  0.6816  1
  Co  Co8  1  0.3904  0.4501  0.6824  1
  Co  Co9  1  0.3912  0.4512  0.1844  1
  Co  Co10  1  0.3924  0.9518  0.3076  1
  Co  Co11  1  0.8927  0.1189  0.4339  1
  Co  Co12  1  0.8949  0.6201  0.5572  1
  Co  Co13  1  0.8978  0.6219  0.8101  1
  Co  Co14  1  0.9019  0.5994  0.0546  1
  Co  Co15  1  0.9021  0.1210  0.9242  1
  H  H16  1  0.1360  0.7822  0.6820  1
  H  H17  1  0.1410  0.2829  0.3086  1
  H  H18  1  0.1447  0.7787  0.1856  1
  H  H19  1  0.6191  0.3141  0.0616  1
  H  H20  1  0.6394  0.7866  0.4329  1
  H  H21  1  0.6399  0.2892  0.8065  1
  H  H22  1  0.6423  0.2875  0.5575  1
  H  H23  1  0.7704  0.9295  0.0506  1
]