data_[La1H8Ir1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P-1]
_cell_length_a [4.9104]
_cell_length_b [4.9098]
_cell_length_c [5.5428]
_cell_angle_alpha [89.6032]
_cell_angle_beta [86.0038]
_cell_angle_gamma [84.4462]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaH8IrAu2]
_chemical_formula_sum '[La1 H8 Ir1 Au2]'
_cell_volume [132.6807]
_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
[
  La  La0  1  0.5000  0.5000  0.0000  1.0
  H  H1  2  0.0094  0.3398  0.9823  1.0
  H  H2  2  0.1829  0.8882  0.7358  1.0
  H  H3  2  0.2951  0.4733  0.4054  1.0
  H  H4  2  0.2968  0.9851  0.1382  1.0
  Ir  Ir5  1  0.0000  0.0000  0.0000  1.0
  Au  Au6  2  0.2247  0.2052  0.5650  1.0
]