data_[La2H6Ir2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4894]
_cell_length_b [4.6851]
_cell_length_c [6.0971]
_cell_angle_alpha [71.3369]
_cell_angle_beta [89.5459]
_cell_angle_gamma [81.9129]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaH3Ir]
_chemical_formula_sum '[La2 H6 Ir2]'
_cell_volume [120.1982]
_cell_formula_units_Z [2]
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  2  0.2469  0.1663  0.7197  1
  H  H1  2  0.1959  0.0605  0.3111  1
  Ir  Ir2  2  0.2352  0.4259  0.1792  1
  H  H3  2  0.2693  0.7963  0.0864  1
  H  H4  2  0.4622  0.6542  0.6345  1
]