data_[Li2Ce1H8Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7656]
_cell_length_b [4.5037]
_cell_length_c [5.2596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CeH8Ir]
_chemical_formula_sum '[Li2 Ce1 H8 Ir1]'
_cell_volume [110.5247]
_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  2  0.0342  0.5000  0.7550  1.0
  Ce  Ce1  1  0.5000  0.0000  0.5000  1.0
  H  H2  4  0.2606  0.2530  0.0772  1.0
  H  H3  2  0.0477  0.0000  0.6923  1.0
  H  H4  2  0.2889  0.5000  0.5382  1.0
  Ir  Ir5  1  0.0000  0.0000  0.0000  1.0
]