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 [P1]
_cell_length_a [4.4206]
_cell_length_b [4.6201]
_cell_length_c [6.4101]
_cell_angle_alpha [91.4957]
_cell_angle_beta [109.5909]
_cell_angle_gamma [95.9574]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaH3Ir]
_chemical_formula_sum '[La2 H6 Ir2]'
_cell_volume [122.4146]
_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  1  0.2152  0.5862  0.7753  1.0
  La  La1  1  0.5019  0.0914  0.3160  1.0
  H  H2  1  0.0027  0.8203  0.4134  1.0
  H  H3  1  0.0808  0.3150  0.3934  1.0
  H  H4  1  0.1699  0.0989  0.9423  1.0
  H  H5  1  0.3804  0.1305  0.6940  1.0
  H  H6  1  0.7162  0.8319  0.6582  1.0
  H  H7  1  0.7253  0.8191  0.0440  1.0
  Ir  Ir8  1  0.7706  0.1194  0.8411  1.0
  Ir  Ir9  1  0.8986  0.5540  0.2101  1.0
]