data_[Li2Cu2Ni2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9124]
_cell_length_b [2.8549]
_cell_length_c [6.5836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuNiH3]
_chemical_formula_sum '[Li2 Cu2 Ni2 H6]'
_cell_volume [88.4747]
_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  2  0.0505  0.7500  0.3251  1.0
  Cu  Cu1  2  0.2783  0.7500  0.0020  1.0
  Ni  Ni2  2  0.4747  0.7500  0.6634  1.0
  H  H3  2  0.1901  0.7500  0.7342  1.0
  H  H4  2  0.2179  0.2500  0.1399  1.0
  H  H5  2  0.3444  0.2500  0.5163  1.0
]