data_[Li2H6Ir1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8474]
_cell_length_b [4.9357]
_cell_length_c [5.1284]
_cell_angle_alpha [67.4600]
_cell_angle_beta [64.4466]
_cell_angle_gamma [61.1107]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2H6IrAu]
_chemical_formula_sum '[Li2 H6 Ir1 Au1]'
_cell_volume [94.5146]
_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  0.3023  0.2956  0.0989  1
  Li  Li1  1  0.7650  0.8652  0.6733  1
  H  H2  1  0.1528  0.7330  0.8295  1
  H  H3  1  0.1560  0.6328  0.3228  1
  H  H4  1  0.2596  0.1142  0.8255  1
  H  H5  1  0.6215  0.9037  0.3101  1
  H  H6  1  0.7772  0.2231  0.8283  1
  H  H7  1  0.9059  0.1844  0.3035  1
  Ir  Ir8  1  0.9814  0.9627  0.0641  1
  Au  Au9  1  0.5823  0.5793  0.2450  1
]