data_[Li8H20Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [6.7586]
_cell_length_b [7.0159]
_cell_length_c [5.6228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Li2H5Ir]
_chemical_formula_sum '[Li8 H20 Ir4]'
_cell_volume [266.6209]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.2444  1
  H  H1  16  0.0000  0.2395  0.9932  1
  H  H2  4  0.0000  0.0000  0.2675  1
  Ir  Ir3  4  0.0000  0.0000  0.9915  1
]