data_[Li4Ho8Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0620]
_cell_length_b [5.3295]
_cell_length_c [7.8598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(HoIr)2]
_chemical_formula_sum '[Li4 Ho8 Ir8]'
_cell_volume [401.2010]
_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  0.1425  0.7500  1.0
  Ho  Ho1  8  0.1456  0.3444  0.1493  1.0
  Ir  Ir2  8  0.1338  0.1504  0.5104  1.0
]