data_[Ni8H10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.5720]
_cell_length_b [6.5720]
_cell_length_c [2.6423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ni4H5]
_chemical_formula_sum '[Ni8 H10]'
_cell_volume [114.1262]
_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
[
  Ni  Ni0  8  0.0731  0.7351  0.0000  1
  H  H1  8  0.0969  0.2171  0.5000  1
  H  H2  2  0.0000  0.0000  0.0000  1
]