data_[Li1Cu2H6Ir1]
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
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5610]
_cell_length_b [4.5857]
_cell_length_c [5.0084]
_cell_angle_alpha [94.4512]
_cell_angle_beta [116.2951]
_cell_angle_gamma [113.2422]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCu2H6Ir]
_chemical_formula_sum '[Li1 Cu2 H6 Ir1]'
_cell_volume [82.1401]
_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  0.9096  0.4933  0.3055  1.0
  Cu  Cu1  1  0.3808  0.6673  0.0193  1.0
  Cu  Cu2  1  0.4023  0.1115  0.7218  1.0
  H  H3  1  0.0068  0.1373  0.3866  1.0
  H  H4  1  0.0626  0.8454  0.7751  1.0
  Ir  Ir5  1  0.0712  0.0478  0.0947  1.0
  H  H6  1  0.3432  0.9018  0.3345  1.0
  H  H7  1  0.4519  0.4270  0.2837  1.0
  H  H8  1  0.6888  0.6475  0.9241  1.0
  H  H9  1  0.8681  0.2434  0.8521  1.0
]