data_[Fe4Ni6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2944]
_cell_length_b [2.5080]
_cell_length_c [6.2986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2Ni3H2]
_chemical_formula_sum '[Fe4 Ni6 H4]'
_cell_volume [122.4740]
_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  4  0.1719  0.0000  0.8036  1.0
  Ni  Ni1  4  0.1075  0.5000  0.4113  1.0
  Ni  Ni2  2  0.0000  0.5000  0.0000  1.0
  H  H3  4  0.2221  0.0000  0.3226  1.0
]