data_[V8Fe4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.6690]
_cell_length_b [8.0528]
_cell_length_c [4.6196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V2FeH2]
_chemical_formula_sum '[V8 Fe4 H8]'
_cell_volume [162.8203]
_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
[
  V  V0  4  0.0000  0.2472  0.7500  1
  V  V1  4  0.0000  0.4038  0.2500  1
  Fe  Fe2  4  0.0000  0.0793  0.2500  1
  H  H3  8  0.2437  0.0777  0.0051  1
]