data_[Li4Ni12H24]
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 [Cmc2_1]
_cell_length_a [6.6237]
_cell_length_b [8.1633]
_cell_length_c [4.4944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(NiH2)3]
_chemical_formula_sum '[Li4 Ni12 H24]'
_cell_volume [243.0198]
_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  4  0.0000  0.1926  0.4700  1.0
  Ni  Ni1  8  0.1902  0.1016  0.9861  1.0
  Ni  Ni2  4  0.0000  0.4026  0.8716  1.0
  H  H3  8  0.1584  0.4661  0.1723  1.0
  H  H4  8  0.1996  0.2836  0.7496  1.0
  H  H5  4  0.0000  0.0135  0.7636  1.0
  H  H6  4  0.0000  0.2239  0.0640  1.0
]