data_[Li4Ho4H24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  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 [7.8086]
_cell_length_b [8.9972]
_cell_length_c [5.3796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiHo(H3Ir)2]
_chemical_formula_sum '[Li4 Ho4 H24 Ir8]'
_cell_volume [364.1920]
_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  4  0.0000  0.4052  0.2500  1.0
  Ho  Ho1  4  0.0000  0.1695  0.7500  1.0
  H  H2  8  0.0835  0.3962  0.6193  1.0
  H  H3  8  0.1767  0.0017  0.0689  1.0
  H  H4  8  0.1823  0.2734  0.1337  1.0
  Ir  Ir5  8  0.1978  0.1316  0.3225  1.0
]