data_[Li6Ni8H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.4344]
_cell_length_b [7.3868]
_cell_length_c [5.2016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(NiH2)4]
_chemical_formula_sum '[Li6 Ni8 H16]'
_cell_volume [204.1060]
_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
[
  Li  Li0  4  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  4  0.2500  0.2500  0.0000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  2  0.0000  0.0000  0.5000  1.0
  H  H5  4  0.0000  0.2307  0.0000  1.0
  H  H6  4  0.0000  0.2346  0.5000  1.0
  H  H7  4  0.1958  0.0000  0.4434  1.0
  H  H8  4  0.2276  0.0000  0.9673  1.0
]