data_[Li2Cu1Ni1H4]
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/m]
_cell_length_a [4.6132]
_cell_length_b [2.7671]
_cell_length_c [4.7227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CuNiH4]
_chemical_formula_sum '[Li2 Cu1 Ni1 H4]'
_cell_volume [57.4682]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  Cu  Cu2  1  0.5000  0.5000  0.0000  1
  Ni  Ni3  1  0.0000  0.0000  0.0000  1
  H  H4  2  0.2236  0.5000  0.2040  1
  H  H5  2  0.2302  0.0000  0.7733  1
]