data_[La8H24Ir8]
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 [C2/c]
_cell_length_a [7.8475]
_cell_length_b [9.7243]
_cell_length_c [6.8738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaH3Ir]
_chemical_formula_sum '[La8 H24 Ir8]'
_cell_volume [492.0023]
_cell_formula_units_Z [8]
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  4  0.0000  0.0932  0.2500  1.0
  La  La1  4  0.0000  0.3590  0.7500  1.0
  H  H2  8  0.0757  0.1296  0.6243  1.0
  H  H3  8  0.1802  0.2567  0.1094  1.0
  H  H4  8  0.1886  0.4702  0.5074  1.0
  Ir  Ir5  8  0.1925  0.3661  0.3103  1.0
]