data_[Li2Ni2H6]
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 [P1]
_cell_length_a [4.4896]
_cell_length_b [4.4908]
_cell_length_c [5.0168]
_cell_angle_alpha [70.8279]
_cell_angle_beta [80.8456]
_cell_angle_gamma [60.3457]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiNiH3]
_chemical_formula_sum '[Li2 Ni2 H6]'
_cell_volume [83.0234]
_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  1  0.1550  0.6794  0.2424  1.0
  Li  Li1  1  0.4905  0.1625  0.7691  1.0
  Ni  Ni2  1  0.1577  0.8495  0.7123  1.0
  Ni  Ni3  1  0.8233  0.5169  0.7126  1.0
  H  H4  1  0.0861  0.5188  0.9073  1.0
  H  H5  1  0.1052  0.2541  0.5285  1.0
  H  H6  1  0.4864  0.6376  0.5257  1.0
  H  H7  1  0.4900  0.7065  0.9065  1.0
  H  H8  1  0.8585  0.8791  0.5377  1.0
  H  H9  1  0.8968  0.1098  0.9033  1.0
]