data_[V2Ni2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9265]
_cell_length_b [2.6713]
_cell_length_c [6.5245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VNiH3]
_chemical_formula_sum '[V2 Ni2 H6]'
_cell_volume [66.0927]
_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
[
  V  V0  2  0.2024  0.2500  0.8874  1.0
  Ni  Ni1  2  0.3927  0.2500  0.3202  1.0
  H  H2  2  0.0391  0.7500  0.6918  1.0
  H  H3  2  0.2878  0.7500  0.0910  1.0
  H  H4  2  0.3563  0.2500  0.5798  1.0
]