data_[Li3Cu6Ni3H18]
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 [R3]
_cell_length_a [4.3924]
_cell_length_b [4.3924]
_cell_length_c [12.4387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiCu2NiH6]
_chemical_formula_sum '[Li3 Cu6 Ni3 H18]'
_cell_volume [207.8293]
_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  0.4485  1.0
  Cu  Cu1  3  0.0000  0.0000  0.2262  1.0
  Cu  Cu2  3  0.0000  0.0000  0.6754  1.0
  Ni  Ni3  3  0.0000  0.0000  0.0246  1.0
  H  H4  9  0.0498  0.6774  0.6099  1.0
  H  H5  9  0.1272  0.3433  0.7723  1.0
]