data_[Li6Cu3Ni9H24]
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 [R3m]
_cell_length_a [5.1838]
_cell_length_b [5.1838]
_cell_length_c [12.9499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li2CuNi3H8]
_chemical_formula_sum '[Li6 Cu3 Ni9 H24]'
_cell_volume [301.3696]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5007  1.0
  Li  Li1  3  0.0000  0.0000  0.8779  1.0
  Cu  Cu2  3  0.0000  0.0000  0.1256  1.0
  Ni  Ni3  9  0.1672  0.3344  0.3331  1.0
  H  H4  9  0.0371  0.5185  0.2695  1.0
  H  H5  9  0.1775  0.3551  0.0675  1.0
  H  H6  3  0.0000  0.0000  0.2618  1.0
  H  H7  3  0.0000  0.0000  0.7312  1.0
]