data_[Li8Ni4H12]
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/c]
_cell_length_a [8.3764]
_cell_length_b [4.2232]
_cell_length_c [5.2326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2NiH3]
_chemical_formula_sum '[Li8 Ni4 H12]'
_cell_volume [175.9054]
_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
[
  Li  Li0  8  0.1598  0.4973  0.5804  1.0
  Ni  Ni1  4  0.0000  0.0415  0.2500  1.0
  H  H2  8  0.1342  0.0035  0.0667  1.0
  H  H3  4  0.0000  0.4291  0.2500  1.0
]