data_[Fe4Ni2H2]
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 [Imm2]
_cell_length_a [2.5245]
_cell_length_b [3.7145]
_cell_length_c [7.7983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Fe2NiH]
_chemical_formula_sum '[Fe4 Ni2 H2]'
_cell_volume [73.1277]
_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  2  0.0000  0.5000  0.4259  1.0
  Fe  Fe1  2  0.0000  0.5000  0.7553  1.0
  Ni  Ni2  2  0.0000  0.5000  0.0991  1.0
  H  H3  2  0.0000  0.0000  0.4267  1.0
]