data_[Fe4Co8Ni4H20]
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
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [2.6262]
_cell_length_b [12.3785]
_cell_length_c [7.0144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [FeCo2NiH5]
_chemical_formula_sum '[Fe4 Co8 Ni4 H20]'
_cell_volume [228.0234]
_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  0.2506  0.9666  1.0
  Co  Co1  4  0.0000  0.0898  0.3273  1.0
  Co  Co2  4  0.0000  0.1099  0.6892  1.0
  Ni  Ni3  4  0.0000  0.4406  0.5059  1.0
  H  H4  4  0.0000  0.1276  0.1010  1.0
  H  H5  4  0.0000  0.2371  0.6430  1.0
  H  H6  4  0.0000  0.3350  0.3383  1.0
  H  H7  4  0.0000  0.3980  0.0029  1.0
  H  H8  4  0.0000  0.4983  0.7496  1.0
]