data_[V2Ni10H8]
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 [C2/m]
_cell_length_a [11.4430]
_cell_length_b [2.6128]
_cell_length_c [5.2110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VNi5H4]
_chemical_formula_sum '[V2 Ni10 H8]'
_cell_volume [151.7012]
_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  0.0000  0.5000  0.0000  1
  Ni  Ni1  4  0.1653  0.0000  0.8313  1
  Ni  Ni2  4  0.1673  0.0000  0.3373  1
  Ni  Ni3  2  0.0000  0.5000  0.5000  1
  H  H4  4  0.0000  0.0000  0.2703  1
  H  H5  4  0.1788  0.5000  0.1072  1
]