data_[V4Ni4H4]
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 [9.7369]
_cell_length_b [2.5806]
_cell_length_c [4.6408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VNiH]
_chemical_formula_sum '[V4 Ni4 H4]'
_cell_volume [103.5404]
_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  0.1191  0.5000  0.4526  1.0
  Ni  Ni1  4  0.1186  0.0000  0.9496  1.0
  H  H2  4  0.2474  0.5000  0.2346  1.0
]