data_[Li3Fe3Cu6H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [4.4040]
_cell_length_b [4.4040]
_cell_length_c [12.3708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiFe(CuH3)2]
_chemical_formula_sum '[Li3 Fe3 Cu6 H18]'
_cell_volume [207.7928]
_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  0.5326  1.0
  Fe  Fe1  3  0.0000  0.0000  0.9618  1.0
  Cu  Cu2  3  0.0000  0.0000  0.3095  1.0
  Cu  Cu3  3  0.0000  0.0000  0.7472  1.0
  H  H4  9  0.0206  0.4903  0.5453  1.0
  H  H5  9  0.0374  0.7438  0.0499  1.0
]